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CHEBI:223141 - Chitinimide G

ChEBI IDCHEBI:223141
ChEBI NameChitinimide G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H91N15O17S2
Net Charge0
Average Mass1358.610
Monoisotopic Mass1357.61588
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]2CCCN2C(=O)[C@@H](N)[C@@H](C)CC)CS1
InChIInChI=1S/C60H91N15O17S2/c1-7-32(5)47(61)56(87)74-24-15-20-43(74)45(28-46(78)79)92-58(90)38(22-26-93-6)68-53(85)42-31-94-54(71-42)44-21-16-25-75(44)55(86)37(19-14-23-64-59(62)63)67-48(80)34(8-2)65-51(83)40(29-76)69-49(81)35(9-3)66-52(84)41(30-77)70-50(82)36(10-4)72-60(91)73-39(57(88)89)27-33-17-12-11-13-18-33/h8-13,17-18,32,37-45,47,54,71,76-77H,7,14-16,19-31,61H2,1-6H3,(H,65,83)(H,66,84)(H,67,80)(H,68,85)(H,69,81)(H,70,82)(H,78,79)(H,88,89)(H4,62,63,64)(H2,72,73,91)/b34-8-,35-9-,36-10-/t32-,37-,38-,39-,40-,41-,42?,43-,44-,45-,47-,54-/m0/s1
InChIKeyQLXDGRDCJWBBHG-IBEURFIPSA-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 G (CHEBI:223141) is a depsipeptide (CHEBI:23643)