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CHEBI:223121 - Chitinimide A

ChEBI IDCHEBI:223121
ChEBI NameChitinimide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H57N11O11S2
Net Charge0
Average Mass944.107
Monoisotopic Mass943.36804
SMILESCC=C(NC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)N[C@@H](CO)C(=O)NC(=CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1c1nc(C(=O)N[C@@H](CCSC)C(=O)OC)cs1
InChIInChI=1S/C41H57N11O11S2/c1-5-24(45-34(56)29(21-53)48-33(55)25(6-2)50-41(62)51-28(38(59)60)20-23-12-8-7-9-13-23)32(54)46-26(14-10-17-44-40(42)43)37(58)52-18-11-15-31(52)36-49-30(22-65-36)35(57)47-27(16-19-64-4)39(61)63-3/h5-9,12-13,22,26-29,31,53H,10-11,14-21H2,1-4H3,(H,45,56)(H,46,54)(H,47,57)(H,48,55)(H,59,60)(H4,42,43,44)(H2,50,51,62)/t26-,27-,28-,29-,31-/m0/s1
InChIKeyBCMYHBTYINFPDE-OLAIZJASSA-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 A (CHEBI:223121) is a polypeptide (CHEBI:15841)