COCARBOXYLASE TETRAHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H17N4O7P2S.H.4H2O
Molecular Weight	496.368
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H+].O.O.O.O.CC1=C(CCOP([O-])(=O)OP(O)([O-])=O)SC=[N+]1CC2=CN=C(C)N=C2N

InChI

InChIKey=KLOLNRGPRQYTIW-UHFFFAOYSA-N

InChI=1S/C12H18N4O7P2S.4H2O/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);4*1H2

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C12H17N4O7P2S
Molecular Weight	423.299
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	H
Molecular Weight	1.0079
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:07:03 UTC 2023` Edited by `admin` on `Sat Dec 16 10:07:03 UTC 2023`
Record UNII	749XRF8JS6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COCARBOXYLASE TETRAHYDRATE

Common Name

English

THIAMINE DIPHOSPHATE FREE ESTER TETRAHYDRATE

Common Name

English

THIAMINE DIPHOSPHATE FREE ESTER TETRAHYDRATE [MI]

Common Name

English

THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-4-METHYL-5-(4,6,6-TRIHYDROXY-4,6-DIOXIDO-3,5-DIOXA-4,6-DIPHOSPHAHEX-1-YL)-, INNER SALT, HYDRATE (1:4)

Systematic Name

English

THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-4-METHYL-5-(4,6,6-TRIHYDROXY-4,6-DIOXIDO-3,5-DIOXA-4,6-DIPHOSPHAHEX-1-YL)-, INNER SALT, TETRAHYDRATE

Systematic Name

English

THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-4-METHYL-5-(4,6,6-TRIHYDROXY-3,5-DIOXA-4,6-DIPHOSPHAHEX-1-YL)-, INNER SALT, P,P'-DIOXIDE, TETRAHYDRATE

Systematic Name

English

Cocarboxylase tetrahydrate [WHO-DD]

Common Name

English

Code System Code Type Description

EVMPD

SUB38872