PTEROPTERIN MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H33N9O12.H2O
Molecular Weight	717.6407
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C=N2)C(=O)N1

InChI

InChIKey=ILEFWSCMCKEENJ-UVJOBNTFSA-N

InChI=1S/C29H33N9O12.H2O/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42;/h1-4,12,16-18,31H,5-11H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H3,30,32,37,38,44);1H2/t16-,17-,18-;/m0./s1

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	C29H33N9O12
Molecular Weight	699.6254
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:12:05 GMT 2023` Edited by `admin` on `Sat Dec 16 02:12:05 GMT 2023`
Record UNII	I84IL5874L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PTEROPTERIN MONOHYDRATE

Common Name

English

PTEROPTERIN MONOHYDRATE [MI]

Common Name

English

PTEROPTERIN, HYDRATE

Common Name

English

GLUTAMIC ACID, N-(N-(N-PTEROYL-L-.GAMMA.-GLUTAMYL)-L-.GAMMA.-GLUTAMYL)-, HYDRATE, L-

Common Name

English

L-GLUTAMIC ACID, N-(N-(N-(4-(((2-AMINO-1,4-DIHYDRO-4-OXO-6-PTERIDINYL)METHYL)AMINO)BENZOYL)-L-.GAMMA.-GLUTAMYL)-L-.GAMMA.-GLUTAMYL)-, MONOHYDRATE

Common Name

English

Code System Code Type Description

CAS

6164-84-7