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CHEBI:223137 - Chitinimide F

ChEBI IDCHEBI:223137
ChEBI NameChitinimide F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H69N13O14S2
Net Charge0
Average Mass1104.280
Monoisotopic Mass1103.45284
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)CS1
InChIInChI=1S/C47H69N13O14S2/c1-5-26(36(63)53-29(15-11-18-50-46(48)49)43(69)60-19-12-16-35(60)42-57-34(24-76-42)41(68)54-30(44(70)71)17-20-75-4)51-39(66)32(22-61)55-37(64)27(6-2)52-40(67)33(23-62)56-38(65)28(7-3)58-47(74)59-31(45(72)73)21-25-13-9-8-10-14-25/h5-10,13-14,29-35,42,57,61-62H,11-12,15-24H2,1-4H3,(H,51,66)(H,52,67)(H,53,63)(H,54,68)(H,55,64)(H,56,65)(H,70,71)(H,72,73)(H4,48,49,50)(H2,58,59,74)/b26-5-,27-6-,28-7-/t29-,30-,31-,32-,33-,34?,35-,42-/m0/s1
InChIKeyYYCPDMIVKAINAD-KOZYZOHBSA-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 F (CHEBI:223137) is a polypeptide (CHEBI:15841)