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CHEBI:223131 - Chitinimide E

ChEBI IDCHEBI:223131
ChEBI NameChitinimide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H59N11O11S2
Net Charge0
Average Mass934.112
Monoisotopic Mass933.38369
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]1[C@H]1NC(C(=O)N[C@@H](CCSC)C(=O)O)CS1
InChIInChI=1S/C40H59N11O11S2/c1-4-23(44-33(55)28(20-52)47-32(54)24(5-2)49-40(62)50-27(38(60)61)19-22-11-7-6-8-12-22)31(53)45-25(13-9-16-43-39(41)42)36(57)51-17-10-14-30(51)35-48-29(21-64-35)34(56)46-26(37(58)59)15-18-63-3/h4-8,11-12,25-30,35,48,52H,9-10,13-21H2,1-3H3,(H,44,55)(H,45,53)(H,46,56)(H,47,54)(H,58,59)(H,60,61)(H4,41,42,43)(H2,49,50,62)/t25-,26-,27-,28-,29?,30-,35-/m0/s1
InChIKeyGWUHJAFRKSUHOU-CUIYLFHFSA-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 E (CHEBI:223131) is a polypeptide (CHEBI:15841)