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Details

Stereochemistry EPIMERIC
Molecular Formula C20H25N7O7
Molecular Weight 475.4552
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-.ALPHA.-HYDROXY-5-METHYLTETRAHYDROFOLIC ACID

SMILES

CN1C(CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN=C3NC(N)=NC(=O)C13O

InChI

InChIKey=GJGYABXPRIKIEP-BTTAGBNVSA-N
InChI=1S/C20H25N7O7/c1-27-12(9-23-17-20(27,34)18(33)26-19(21)25-17)8-22-11-4-2-10(3-5-11)15(30)24-13(16(31)32)6-7-14(28)29/h2-5,12-13,22,34H,6-9H2,1H3,(H,24,30)(H,28,29)(H,31,32)(H3,21,23,25,26,33)/t12?,13-,20?/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H25N7O7
Molecular Weight 475.4552
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 1 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:43:18 UTC 2023
Edited
by admin
on Sat Dec 16 01:43:18 UTC 2023
Record UNII
N2E16WTX62
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-.ALPHA.-HYDROXY-5-METHYLTETRAHYDROFOLIC ACID
DSC  
Common Name English
L-GLUTAMIC ACID, N-(4-(((2-AMINO-1,4,4A,5,6,7-HEXAHYDRO-4A-HYDROXY-5-METHYL-4-OXO-6-PTERIDINYL)METHYL)AMINO)BENZOYL)-
Systematic Name English
4-.ALPHA.-HYDROXY-5-METHYLTETRAHYDROFOLIC ACID [DSC]
Common Name English
Code System Code Type Description
PUBCHEM
135618559
Created by admin on Sat Dec 16 01:43:18 UTC 2023 , Edited by admin on Sat Dec 16 01:43:18 UTC 2023
PRIMARY
CAS
33157-07-2
Created by admin on Sat Dec 16 01:43:18 UTC 2023 , Edited by admin on Sat Dec 16 01:43:18 UTC 2023
PRIMARY
FDA UNII
N2E16WTX62
Created by admin on Sat Dec 16 01:43:18 UTC 2023 , Edited by admin on Sat Dec 16 01:43:18 UTC 2023
PRIMARY
EPA CompTox
DTXSID20954773
Created by admin on Sat Dec 16 01:43:18 UTC 2023 , Edited by admin on Sat Dec 16 01:43:18 UTC 2023
PRIMARY
Related Record Type Details
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