Summary

IMPPAT Phytochemical identifier: IMPHY003359

Phytochemical name: Gliadins

Synonymous chemical names:
gliadin, prolamines (gliadins)

External chemical identifiers:
CID:17787981

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Chemical structure information

SMILES:
NC(=O)CCC(C(=O)N1CCCC1C(=O)NC(C(=O)O)CCC(=O)N)NC(=O)C1CCCN1C(=O)C(Cc1ccc(cc1)O)N

InChI:
InChI=1S/C29H41N7O9/c30-18(15-16-5-7-17(37)8-6-16)27(42)35-13-1-3-21(35)25(40)33-19(9-11-23(31)38)28(43)36-14-2-4-22(36)26(41)34-20(29(44)45)10-12-24(32)39/h5-8,18-22,37H,1-4,9-15,30H2,(H2,31,38)(H2,32,39)(H,33,40)(H,34,41)(H,44,45)

InChIKey:
HZWWPUTXBJEENE-UHFFFAOYSA-N

DeepSMILES:
NC=O)CCCC=O)NCCCC5C=O)NCC=O)O))CCC=O)N)))))))))))))NC=O)CCCCN5C=O)CCcccccc6))O))))))N

Functional groups:
CC(=O)N(C)C, CC(=O)O, CC(N)=O, CN, CNC(C)=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(NCC(=O)N1CCCC1)C1CCCN1C(=O)CCc1ccccc1

Scaffold Graph/Node level:
OC(NCC(O)N1CCCC1)C1CCCN1C(O)CCC1CCCCC1

Scaffold Graph level:
CC(CCC(C)C1CCCC1C(C)CCC1CCCCC1)C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Oligopeptides, Small peptides

NP Classifier Class: Linear peptides, Tripeptides

NP-Likeness score: 0.012

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Chemical structure download