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CHEBI:223123 - Chitinimide C

ChEBI IDCHEBI:223123
ChEBI NameChitinimide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H77N13O14S2
Net Charge0
Average Mass1184.410
Monoisotopic Mass1183.51544
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)O[C@@H](CC(=O)O)[C@@H]2CCCN2C(=O)[C@@H](N)[C@@H](C)CC)cs1
InChIInChI=1S/C53H77N13O14S2/c1-6-29(4)42(54)49(75)65-22-13-18-38(65)40(26-41(68)69)80-51(78)34(20-24-81-5)60-46(73)37-28-82-47(62-37)39-19-14-23-66(39)48(74)33(17-12-21-57-52(55)56)59-43(70)31(7-2)58-45(72)36(27-67)61-44(71)32(8-3)63-53(79)64-35(50(76)77)25-30-15-10-9-11-16-30/h7-11,15-16,28-29,33-36,38-40,42,67H,6,12-14,17-27,54H2,1-5H3,(H,58,72)(H,59,70)(H,60,73)(H,61,71)(H,68,69)(H,76,77)(H4,55,56,57)(H2,63,64,79)/t29-,33-,34-,35-,36-,38-,39-,40-,42-/m0/s1
InChIKeyHDVZQRCXBXHORW-IAJMOZIHSA-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 C (CHEBI:223123) is a depsipeptide (CHEBI:23643)