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thiamine(1+) diphosphate chloride

PropertiesImage
MNX_IDMNXM161566 Image of MNXM161566
referencechebi:18290
formulaC12H19ClN4O7P2S
global charge0
mol weight460.773
InChIKeyYXVCLPJQTZXJLH-UHFFFAOYSA-N
InChIInChI=1S/C12H18N4O7P2S.ClH/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21);1H
SMILESCC1=NC(N)=C(C[N+]2=CSC(CCOP(=O)(O)OP(=O)(O)O)=C2C)C=N1.[Cl-]
MNX internals
InChI (mnx)InChI=1/C12H18N4O7P2S.ClH/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21);1H Image of MNXM161566
SMILES (mnx)[CH3:1][C:8]1=[C:11]([CH2:3][CH2:4][O:22][P:25](=[O:20])([O-:21])[O:23][P:24](=[O:17])([OH:18])[OH:19])[S:26][CH:7]=[N+:16]1[CH2:6][C:10]1=[CH:5][N:14]=[C:9]([CH3:2])[NH:15][C:12]1=[NH:13].[ClH:27]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:18290
chebi:18290
YXVCLPJQTZXJLH-UHFFFAOYSA-N 		thiamine(1+) diphosphate chloride
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-diphosphoethyl)-4-methyl-1,3-thiazolium chloride
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium chloride
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(diphosphooxy)ethyl]-4-methyl-1,3-thiazol-3-ium chloride
Coenzymate
TPP
Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride, P,P'-dioxide
cocarboxilasa
cocarboxylase
cocarboxylase chloride
cocarboxylasum
thiamine diphosphate chloride
thiamine diphosphoric acid ester chloride
thiamine pyrophosphate
thiaminium diphosphoric acid ester chloride
thiaminium pyrophosphate chloride
thiaminium pyrophosphoric acid ester chloride
vitamin B1 pyrophosphate chloride

kegg.drug:D01225
keggD:D01225
YXVCLPJQTZXJLH-UHFFFAOYSA-N 		Cocarboxylase (JAN/INN)
Coenzymate (TN)
Thiamine pyrophosphate

chebi:26943
chebi:31427
keggD:M_D01225 		secondary/obsolete/fantasy identifier