Summary

IMPPAT Phytochemical identifier: IMPHY015701

Phytochemical name: Gitalin

Synonymous chemical names:
gitalin

External chemical identifiers:
CID:131750165

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Chemical structure information

SMILES:
NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)N)[C@H](CC)C)CC(C)C)C)[C@H](O)C)[C@H](CC)C

InChI:
InChI=1S/C31H56N8O10/c1-9-15(5)23(37-22(42)13-32)29(46)39-25(18(8)40)30(47)34-17(7)26(43)35-19(11-14(3)4)27(44)38-24(16(6)10-2)28(45)36-20(31(48)49)12-21(33)41/h14-20,23-25,40H,9-13,32H2,1-8H3,(H2,33,41)(H,34,47)(H,35,43)(H,36,45)(H,37,42)(H,38,44)(H,39,46)(H,48,49)/t15-,16-,17-,18+,19-,20-,23-,24-,25-/m0/s1

InChIKey:
APSWDBKJUOEMOA-MTEWDWANSA-N

DeepSMILES:
NCC=O)N[C@H]C=O)N[C@H]C=O)N[C@H]C=O)N[C@H]C=O)N[C@H]C=O)N[C@H]C=O)O))CC=O)N))))))[C@H]CC))C)))))CCC)C))))))C))))[C@H]O)C)))))[C@H]CC))C

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

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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

NP-Likeness score: 0.154

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Chemical structure download