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CHEBI:223146 - Chitinimide H

ChEBI IDCHEBI:223146
ChEBI NameChitinimide H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC62H93N15O19S2
Net Charge0
Average Mass1416.646
Monoisotopic Mass1415.62136
SMILESC/C=C(\NC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)N[C@@H](CO)C(=O)N/C(=C\C)C(=O)N[C@@H](CO)C(=O)N/C(=C\C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1[C@H]1NC(C(=O)N[C@@H](CCSC)C(=O)O[C@@H](CC(=O)O)[C@@H]2CC[C@@H](OC(C)=O)N2C(=O)[C@@H](N)[C@@H](C)CC)CS1
InChIInChI=1S/C62H93N15O19S2/c1-8-32(5)49(63)58(90)77-44(21-22-47(77)95-33(6)80)46(28-48(81)82)96-60(93)39(23-26-97-7)70-55(88)43-31-98-56(73-43)45-20-16-25-76(45)57(89)38(19-15-24-66-61(64)65)69-50(83)35(9-2)67-53(86)41(29-78)71-51(84)36(10-3)68-54(87)42(30-79)72-52(85)37(11-4)74-62(94)75-40(59(91)92)27-34-17-13-12-14-18-34/h9-14,17-18,32,38-47,49,56,73,78-79H,8,15-16,19-31,63H2,1-7H3,(H,67,86)(H,68,87)(H,69,83)(H,70,88)(H,71,84)(H,72,85)(H,81,82)(H,91,92)(H4,64,65,66)(H2,74,75,94)/b35-9-,36-10-,37-11-/t32-,38-,39-,40-,41-,42-,43?,44-,45-,46-,47+,49-,56-/m0/s1
InChIKeyIKDJBGLWLLRQDV-TYMDWTSZSA-N
Species of MetaboliteComponentSourceComments
Chitinimonas koreensis DSM 17726 (ncbitaxon:1121278) - PubMed (34301933)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Chitinimide H (CHEBI:223146) is a depsipeptide (CHEBI:23643)