UCSF

ZINC14438802

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2008 12 Yes

Other Names:

"(+)-Sodium L-ascorbate, 99%"

(+)-ascorbate;(+)-ascorbic acid;(+)-Sodium L-ascorbate ;3-Keto-L-gulofuranolactone;3-Oxo-L-gulofuranolactone;Adenex;Allercorb;Antiscorbic vitamin;Antiscorbutic vitamin;Arco-cee;Ascoltin;Ascor-B.I.D.;Ascorb;Ascorbajen;Ascorbate;Ascorbic acid;Ascorbicab;Asc

(+)-Sodium L-ascorbate ; (+)-ascorbate; (+)-ascorbic acid; 3-Keto-L-gulofuranolactone; 3-Oxo-L-gulofuranolactone; Adenex; Allercorb; Antiscorbic vitamin; Antiscorbutic vitamin; Arco-cee; Ascoltin; Ascor-B.I.D.; Ascorb; Ascorbajen; Ascorbate; Ascorbic acid

(+)-Sodium L-ascorbate ;(+)-ascorbate;(+)-ascorbic acid;3-Keto-L-gulofuranolactone;3-Oxo-L-gulofuranolactone;Adenex;Allercorb;Antiscorbic vitamin;Antiscorbutic vitamin;Arco-cee;Ascoltin;Ascor-B.I.D.;Ascorb;Ascorbajen;Ascorbate;Ascorbic acid;Ascorbicab;Asc

(2R)-2-[(1S)-1,2-Dihydroxyethyl]-4,5-dihydroxy-furan-3-one

(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one

(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one

(R)-5-((S)-1,2-Dihydroxyethyl)-3,4-dihydroxyfuran-2(5H)-one

129940-97-2

134-03-2 (monosodium salt)

14536-17-5

154170-90-8

2-(1,2-Dihydroxyethyl)-4,5-dihydroxyfuran-3-one

2-dehydro-L-idonic acid-1,4-lactone; L-xylo-Hex-2-ulono-1,4-lactone; L-xylo-Hexulonolactone

2-keto-L-Gulonolactone

255564_SIAL

259133-78-3

3-Keto-L-gulofuranolactone

3-Keto-L-gulofuranolactone; 3-Oxo-L-gulofuranolactone; 3-Oxo-L-gulofuranolactone (enol form); ASCORBIC ACID; Acide ascorbique [INN-French]; Acido ascorbico [INN-Spanish]; Acidum ascorbicum [INN-Latin]; Acidum ascorbinicum; Adenex; Allercorb; Antiscorbic v

3-Oxo-L-gulofuranolactone

3-Oxo-L-gulofuranolactone (enol form)

3-Oxo-L-gulofuranolactone sodium; Ascorbate de sodium [INN-French]; Ascorbato sodico [DCIT]; Ascorbic acid sodium derivative; Ascorbic acid sodium salt; Ascorbicin; Ascorbin; C6H7O6.Na; CCRIS 3291; Cebitate; Cenolate; Cevalin; EINECS 205-126-1; HBL 508; H

30208-61-8

33034_RIEDEL

33034_SIAL

47863_SUPELCO

47A605F0-4187-47A8-B0CE-F9E7DA1B0076

5-(1,2-dihydroxyethyl)-3,4-dihydroxy-2(5H)-furanone

5-(1,2-dihydroxyethyl)-3,4-dihydroxyfuran-2(5H)-one

5-(1,2-dihydroxyethyl)-3,4-dihydroxyfuran-2(5H)-one (non-preferred name)

50-81-7

50-81-7; Ascorbate; Ascorbic acid; C00072; L-Ascorbate; L-Ascorbic acid; Vitamin C

50-81-7; Ascorbic acid; Prestwick_683

50976-75-5

56172-55-5

56533-05-2

57304-74-2

5743-27-1; Ascorbic acid calcium salt; Calcium Ascorbate (TN); D07575

5743-28-2; Calcium ascorbate (USP); D02293

57606-40-3

623158-95-2

6730-29-6

882690-91-7

884381-69-5

885512-24-3

88845-26-5

89924-69-6

95209_FLUKA

95209_SIGMA

95210_FLUKA

95210_SIAL

95212_FLUKA

A0278_SIGMA

A0537

A2174_SIGMA

A2218_SIGMA

A2343_SIGMA

A4403_SIGMA

A4544_SIGMA

A5960_SIGMA

A7506_SIGMA

A92902_ALDRICH

A92902_SIAL

AA

AB00376923

AB1002440

AC1L1L4T

AC1Q77S6

Acid Ascorbic

Acide ascorbique

Acide ascorbique [INN-French]

acide ascorbique; acido ascorbico; acidum ascorbicum; ascorbic acid

Acido ascorbico

Acido ascorbico [INN-Spanish]

Acidum ascorbicum

Acidum ascorbicum [INN-Latin]

Acidum ascorbinicum

Adenex

Aerol 2; Chlorophos-DDVP mixt; LS-107660; Phosphoric acid, 2,2-dichloroethenyl dimethyl ester, mixt. with dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate

Allercorb

Ambap36431-82-0

antiscorbic vita min

Antiscorbic Vitamin

Antiscorbutic factor

Antiscorbutic Vitamin

AR-1J3435

Arco-Cee

Ark 62-62; DAP-1; LS-117529; Platinum, bis(L-ascorbato-O3)(1,2-cyclohexanediamine-N,N')-, (SP-4-2)-; cis-Bisascorbato(racemic-1,2-diaminocyclohexane)platinum(II) hydrate

Ascobic acid; (Vitamin C)

Ascoltin

Ascoltin (TN)

ascor-b.i.d

Ascor-B.I.D.

Ascorb

Ascorbajen

Ascorbate

Ascorbate radical; C01041; Monodehydroascorbate; Monodehydroascorbate radical; Semidehydroascorbic acid

Ascorbic acid

Ascorbic Acid (BAN

Ascorbic acid (JP15/USP/INN)

Ascorbic Acid DC97SF

Ascorbic acid [BAN:INN:JAN]

Ascorbic acid [INN:BAN:JAN]

Ascorbic acid, compd. with 2-aminoethanethiol; Ascorbic acid, compd. with 2-aminoethanethiol, L-; Ascorbic acid, salt with 2-aminoethanethiol, L-; Ethanethiol, 2-amino-, compd. with L-ascorbic acid; L-Ascorbic acid, compd. with 2-aminoethanethiol (1:1); L

Ascorbic Acid, Monosodium Salt

Ascorbicab

AscorbicAcid

Ascorbicap

Ascorbicap (TN)

Ascorbicap; Ascorbinsaeure; E 300; E-300; E300; L-(+)-ascorbic acid; Vitamin C; acidum ascorbinicum

Ascorbicin

Ascorbin

Ascorbinsaeure

Ascorbutina

Ascorbyl radical

Ascorin

Ascorteal

Ascorvit

bmse000182

BPBio1_000363

BSPBio_000329

C-Level

C-Long

C-Quin

C-Span

C-Vimin

C00072

C03289; L-xylo-Hex-2-ulono-1,4-lactone; L-xylo-Hexulonolactone

C6H8O6

Calcium ascorbate dihydrate

Calcium L-ascorbate dihydrate

Cantan

Cantaxin

Caswell No. 061B

Catavin C

CCRIS 57

Ce Lent

Ce-Mi-Lin

CE-VI-Sol

Cebicure

Cebid

Cebion

Cebione

Cecon

cee-caps td

Cee-Caps Td

Cee-Vite

Cegiolan

Ceglion

Celaskon

Celin

Cemagyl

Cemill

Cenetone

Cenolate

Cereon

Cergona

Cescorbat

Cetamid

Cetane

Cetane-Caps Tc

Cetane-Caps Td

Cetebe

Cetemican

Cevalin

Cevatine

Cevex

Cevi-Bid

cevibid

Cevimin

Cevital

Cevitamic Acid

Cevitamin

Cevitan

Cevitex

Cewin

CHEBI:2868; CHEBI:43473; CHEBI:40892; CHEBI:17208; CHEBI:21240

CHEBI:29073

CHEBI:57796

CHEBI:6981; CHEBI:25385; CHEBI:14614

CHEMBL196

Ciamin

CID5785

Cipca

Citriscorb

Colascor

component of Cortalex

component of E and C-Level

component of Endoglobin Forte

component of Ferancee

Concemin

Cortalex

CPD-318; ascorbyl radical; monodehydroascorbate; monodehydroascorbic acid; semidehydroascorbate; semidehydroascorbic acid

CPD-329; L-xylo-hex-3-ulono-1,4-lactone; L-xylo-hexulonolactone

D-Isoascorbic acid

D00018

DAP000966

Davitamon C

DB00126

DNC000259

Dora-C-500

Duoscorb

EINECS 200-066-2

FDA

FEMA No. 2109

Ferancee

Ferrous ascorbate

Hex-2-enonic acid gamma-lactone, L-threo-

Hicee

HSDB 818

Hybrin

IDO-C

INN

Iron(II) ascorbate

Iron-ascorbic acid complexes

JAN

Kyselina Askorbova

Kyselina askorbova [Czech]

L(+)-Ascorbic acid

L(+)-Ascorbic acid, 99%

L-(+)-Ascorbic Acid

L-(+)-Ascorbic Acid [50-81-7]; (Vitamin C)

L-(+)-Ascorbic acid, 98+%

L-(+)-Ascorbic acid, 99+%

L-(+)-Ascorbic acid, ACS

L-(+)-Ascorbic acid, ACS, 99+%

L-3-ketothreohexuronic acid

L-3-Ketothreohexuronic acid lactone

L-Ascorbate

L-Ascorbic Acid

L-ascorbic acid 2-sulfate dipotassium salt

L-Ascorbic acid sodium salt

L-Ascorbic acid sodium salt, 99%

L-Ascorbic acid, free radical form

L-ASCORBIC ACID; [50-81-7]

L-isoascorbic acid

L-Isoascorbinsaeure; L-araboascorbic acid

L-Lyxoascorbic Acid

L-threo-ascorbic acid

l-threo-hex-1-eofuranos-3-ulose

L-threo-Hex-2-enonic acid, gamma-lactone

L-threo-hex-2-enono-1,4-lactone

L-Threoascorbic acid

L-xylo-hex-2-ulono-1,4-lactone

L-xylo-Hex-2-ulono-1,4-lactone; L-xylo-Hex-3-ulono-1,4-lactone; L-xylo-Hexulonolactone

L-Xylo-hexulonolactone

L-Xyloascorbic Acid

Laroscorbine

Lemascorb

Liqui-Cee

LS-145

LS-193307

MAGNESIUM ASCORBATE HYDRATE

Magnesium Ascorbicum

Magnesium ascorbyl phosphate

Magnesiumascorbylphosphate

Magnorbin

Meri-C

MFCD00064328

MFCD00066707

MFCD00078766

MFCD00082340

MFCD00149216

MFCD00236636

MFCD17019337

MLS002153776

MolPort-001-792-501

monodehydro-L-ascorbate(1-)

monodehydro-L-ascorbate; monodehydroascorbate anion

monodehydro-L-ascorbic acid

Monodehydroascorbic acid

N/A

Natrascorb

Natrascorb injectable

NCGC00091517-01

NCGC00091517-02

NCGC00164357-01

nchembio.174-comp5

nchembio.89-comp1

nchembio.92-comp2

nchembio821-comp9

NCI-C54808

Niacinamide ascorbate

NSC 33832

Oral Vitamin C

Planavit C

Potassium (R)-2-((S)-1,2-dihydroxyethyl)-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate

Prestwick3_000325

Proscorbin

Redoxon

Ribena

roscorbi c

Roscorbic

Scorbacid

Scorbu-C

Secorbate

Semidehydroascorbate

SMR001233160

Sodascorbate

Sodium Ascorbate

Sodium Ascorbate (Ascorbic Acid)

Stuartinic

Sunkist

Testascorbic

Tolfrinic

UNII-PQ6CK8PD0R

USP)

USP); Calcium Ascorbate (USP)

Vicelat

Vicin

Vicomin C

Viforcit

Viscorin

Vitace

Vitacee

Vitacimin

Vitacin

Vitamin C (Ascorbic acid)

Vitamin- C

Vitamin-?C

Vitamisin

Vitascorbol

W210901_ALDRICH

Xitix

Xyloascorbic acid, L-

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -4.12 -5.47 -13.37 2 6 0 107 175.116 2
Hi High (pH 8-9.5) -4.12 -4.62 -15.59 2 6 0 107 175.116 2
Hi High (pH 8-9.5) -0.93 -8.02 -141.02 3 6 -2 120 174.108 2
Mid Mid (pH 6-8) -4.12 -5.29 -11.31 3 6 0 104 176.124 2
Mid Mid (pH 6-8) -2.12 -8.69 -10.68 4 6 0 107 176.124 2
Mid Mid (pH 6-8) -2.69 -6.42 -13.07 3 6 0 110 175.116 2
Mid Mid (pH 6-8) -1.40 -6.58 -42.81 3 6 -1 110 175.116 2
Lo Low (pH 4.5-6) -4.12 -5.56 -13.55 3 6 0 104 176.124 2
Lo Low (pH 4.5-6) -4.12 -6.39 -11.42 3 6 0 104 176.124 2
Lo Low (pH 4.5-6) -4.12 -4.62 -12.33 3 6 0 104 176.124 2
Lo Low (pH 4.5-6) -4.12 -5.84 -11.47 3 6 0 104 176.124 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 190 - 192 Acros Organics
Melting_Point 190-193? dec. Alfa-Aesar
Melting_Point 190-193° dec. Alfa-Aesar
MP 190-194 °C (dec.) Indofine
MP 190-194° (dec) Oakwood Chemical
MP 190-194° (dec.) Oakwood Chemical
MP 192 TCI
MP 192 - 196 Enamine Building Blocks
MP 193 - 195 Enamine Building Blocks
MP 193...195 Enamine Building Blocks
ALOGPS_SOLUBILITY 2.45e+02 g/l DrugBank-nutriceuticals
Mp [°C] 219 - 221 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 99% Fluorochem
UniProt Database Links ACCO1_ARATH; ACCO1_BRAJU; ACCO1_CUCME; ACCO1_DICDI; ACCO1_DICMU; ACCO1_DORSP; ACCO1_MALDO; ACCO1_ORYSI; ACCO1_ORYSJ; ACCO1_PETHY; ACCO1_SOLLC; ACCO2_ARATH; ACCO2_DORSP; ACCO2_MALDO; ACCO2_SOLLC; ACCO3_ARATH; ACCO3_CUCME; ACCO3_PETHY; ACCO4_ARATH; ACCO4_PE ChEBI
UniProt Database Links ACET1_MAIZE; ACET1_ORYSJ; ACET2_ORYSJ; ACFR2_MAIZE; MDAR1_ARATH; MDAR2_ARATH; MDAR2_SOYBN; MDAR3_ARATH; MDAR4_ARATH; MDARF_CUCSA; MDARP_ARATH; MDARS_CUCSA; MDAR_PEA; MDAR_SOLLC; NEC3_NICLS ChEBI
UniProt Database Links ACFR1_ARATH; ACFR2_ARATH; ACFR3_ARATH; ACFR4_ARATH; APX1_ARATH; APX1_HYDVD; APX1_ORYSI; APX1_ORYSJ; APX1_PEA; APX2_ARATH; APX2_ORYSJ; APX3_ARATH; APX3_ORYSI; APX3_ORYSJ; APX4_ORYSJ; APX5_ARATH; APX5_ORYSJ; APX6_ARATH; APX6_ORYSJ; APX7_ORYSJ; APX8_ORYSJ; A ChEBI
Therapy antiscorbutic, antiviral SMDC Pharmakon
Melting_Point ca 191? dec. Alfa-Aesar
Melting_Point ca 191° dec. Alfa-Aesar
Target Cyclin-A2(P20248)&Cell division protein kinase 2(P24941)&Cell division protein kinase 4(P11802)&G1/S-specific cyclin-D1(P24385)&Serine/threonine-protein kinase Sgk1(O00141)&Plasminogen activator inhibitor 1(P05121)&Regucalcin(Q15493)&Transforming growth f Herbal Ingredients Targets
PUBCHEM_PATENT_ID EP0001002A1; EP0002262A1; EP0002264A1; EP0006658A1; EP0006659A1; EP0007676A1; EP0007710A1; EP0007985A1; EP0010392A1; EP0011963A1; EP0012804A1; EP0014531A1; EP0014569A2; EP0015156A1; EP0016962A1; EP0017746A1; EP0018107A1; EP0019423A1; EP0021261A1; EP002162 IBM Patent Data
PUBCHEM_PATENT_ID EP0686203A1; US5750872; US5849290; WO1987006128A1; WO1996031115A1; WO1999057986A1; WO1999064612A1; WO2000065039A2 IBM Patent Data
Patent Database Links EP0947523; EP1004304; EP1514540; EP1538151; EP1541155; EP1568283; EP1586315; EP1652527; EP1661982; EP1666484; EP1679071; EP1688130; EP1710301; EP1731146; EP1894558; EP1932530; US2002082274; US2002151533; US2003097029; US2004067914; US2005019878; US2005085 ChEBI
UniProt Database Links GGLO_BOVIN; GGLO_MOUSE; GGLO_PIG; GGLO_RAT; GGLO_SCYTO; GULDH_MYCTU ChEBI
SOLUBILITY H2O: 50 mg/mL at 20 C, clear, nearly colorless Indofine
Target Others Selleck Chemicals
Reactome Database Links REACT_11095; REACT_11100; REACT_111191; REACT_11120; REACT_120853; REACT_121152; REACT_15372 ChEBI
Reactome Database Links REACT_11100 ChEBI
Reactome Database Links REACT_111191 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Target Vitamin Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADA2B-3-E Alpha-2b Adrenergic Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 1 1.05 Functional ≤ 10μM
Z80156-5-O HL-60 (Promyeloblast Leukemia Cells) (cluster #5 Of 12), Other Other 9700 0.58 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADA2B_HUMAN P18089 Alpha-2b Adrenergic Receptor, Human 0.5 1.09 Functional ≤ 10μM
Z80156 Z80156 HL-60 (Promyeloblast Leukemia Cells) 10 0.93 Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Catecholamine biosynthesis
Collagen biosynthesis and modifying enzymes
TET1,2,3 and TDG demethylate DNA
Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation
Vitamin C (ascorbate) metabolism

Reactome Annotations from Targets (via Uniprot)

Description Species
Adrenaline signalling through Alpha-2 adrenergic receptor
Adrenoceptors
G alpha (i) signalling events
G alpha (z) signalling events

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.