Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID014202

Phytochemical name: Tetrahydropteroylglutamate

Synonymous chemical names:
Tetrahydropteroylglutamate, tetrahydropteroylglutamate

External chemical identifiers:
CID:CID_135402046

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Chemical structure information

SMILES:
OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCC1CNc2c(N1)c(=O)[nH]c(n2)N

InChI:
InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)

InChIKey:
MSTNYGQPCMXVAQ-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCCC=O)O))NC=O)cccccc6))NCCCNccN6)c=O)[nH]cn6)N

Functional groups:
CC(=O)O, cC(=O)NC, cNC, c=O, c[nH]c, cnc, cN

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1[nH]cnc2c1NC(CNc1ccccc1)CN2

Scaffold Graph/Node level:
OC1NCNC2NCC(CNC3CCCCC3)NC12

Scaffold Graph level:
CC1CCCC2CCC(CCC3CCCCC3)CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pteridines and derivatives

ClassyFire Subclass: Pterins and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: pteridine alkaloids

NP-Likeness score: 0.255

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Chemical structure download