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Details

Stereochemistry ABSOLUTE
Molecular Formula C49H61N13O24
Molecular Weight 1216.0813
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PTEROYLHEXAGLUTAMYLGLUTAMIC ACID

SMILES

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)N[C@@H](CCC(=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(O)=O)C(O)=O)C(O)=O)C(O)=O)C=N2)C(=O)N1

InChI

InChIKey=WDDAVTBNEYJVJP-FLMSMKGQSA-N
InChI=1S/C49H61N13O24/c50-49-61-39-38(41(72)62-49)53-23(20-52-39)19-51-22-3-1-21(2-4-22)40(71)60-30(48(85)86)10-17-36(68)58-28(46(81)82)8-15-34(66)56-26(44(77)78)6-13-32(64)54-24(42(73)74)5-12-31(63)55-25(43(75)76)7-14-33(65)57-27(45(79)80)9-16-35(67)59-29(47(83)84)11-18-37(69)70/h1-4,20,24-30,51H,5-19H2,(H,54,64)(H,55,63)(H,56,66)(H,57,65)(H,58,68)(H,59,67)(H,60,71)(H,69,70)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H3,50,52,61,62,72)/t24-,25-,26-,27-,28-,29-,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula C49H61N13O24
Molecular Weight 1216.0813
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:04:58 GMT 2025
Edited
by admin
on Mon Mar 31 22:04:58 GMT 2025
Record UNII
3ULW2C76OT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PTEROYLHEXAGLUTAMYLGLUTAMIC ACID
MI  
Common Name English
FOLIC ACID HEXAGLUTAMATE
Preferred Name English
N-(4-(((2-AMINO-1,4-DIHYDRO-4-OXO-6-PTERIDINYL)METHYL)AMINO)BENZOYL)-L-.GAMMA.-GLUTAMYL-L-.GAMMA.-GLUTAMYL-L-.GAMMA.-GLUTAMYL-L-.GAMMA.-GLUTAMYL-L-.GAMMA.-GLUTAMYL-L-.GAMMA.-GLUTAMYL-L-GLUTAMIC ACID
Systematic Name English
PTEROYLHEPTAGLUTAMIC ACID
Common Name English
VITAMIN BC CONJUGATE
Common Name English
PTEROYLHEXAGLUTAMYLGLUTAMIC ACID [MI]
Common Name English
PHGA
Common Name English
PTEROYLHEPTAGLUTAMATE
Common Name English
PTEROYLHEPTA-.GAMMA.-L-GLUTAMIC ACID
Common Name English
L-GLUTAMIC ACID, N-(4-(((2-AMINO-1,4-DIHYDRO-4-OXO-6-PTERIDINYL)METHYL)AMINO)BENZOYL)-L-.GAMMA.-GLUTAMYL-L-.GAMMA.-GLUTAMYL-L-.GAMMA.-GLUTAMYL-L-.GAMMA.-GLUTAMYL-L-.GAMMA.-GLUTAMYL-L-.GAMMA.-GLUTAMYL-
Systematic Name English
PTEROYL-.GAMMA.-HEPTAGLUTAMATE
Common Name English
VITAMIN B11
Common Name English
Code System Code Type Description
CHEBI
27470
Created by admin on Mon Mar 31 22:04:58 GMT 2025 , Edited by admin on Mon Mar 31 22:04:58 GMT 2025
PRIMARY
FDA UNII
3ULW2C76OT
Created by admin on Mon Mar 31 22:04:58 GMT 2025 , Edited by admin on Mon Mar 31 22:04:58 GMT 2025
PRIMARY
PUBCHEM
16132260
Created by admin on Mon Mar 31 22:04:58 GMT 2025 , Edited by admin on Mon Mar 31 22:04:58 GMT 2025
PRIMARY
CAS
6484-74-8
Created by admin on Mon Mar 31 22:04:58 GMT 2025 , Edited by admin on Mon Mar 31 22:04:58 GMT 2025
PRIMARY
MERCK INDEX
m9314
Created by admin on Mon Mar 31 22:04:58 GMT 2025 , Edited by admin on Mon Mar 31 22:04:58 GMT 2025
PRIMARY Merck Index
EPA CompTox
DTXSID60215133
Created by admin on Mon Mar 31 22:04:58 GMT 2025 , Edited by admin on Mon Mar 31 22:04:58 GMT 2025
PRIMARY