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CHEBI:220362 - Kitacinnamycin A

ChEBI IDCHEBI:220362
ChEBI NameKitacinnamycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC67H96N10O24
Net Charge0
Average Mass1425.551
Monoisotopic Mass1424.65989
SMILESCC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC(=O)/C=C/c2ccccc2/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)OC1=O
InChIInChI=1S/C67H96N10O24/c1-31(2)24-40-65(96)97-35(9)52(73-45(81)22-20-37-18-14-15-19-38(37)21-23-48(84)100-67-58(56(88)54(86)43(30-79)99-67)101-66-57(89)55(87)53(85)42(29-78)98-66)63(94)71-39(26-44(68)80)59(90)76-51(34(7)8)64(95)77(10)41(25-36-16-12-11-13-17-36)60(91)75-49(32(3)4)61(92)70-27-46(82)69-28-47(83)74-50(33(5)6)62(93)72-40/h11-23,31-35,39-43,49-58,66-67,78-79,85-89H,24-30H2,1-10H3,(H2,68,80)(H,69,82)(H,70,92)(H,71,94)(H,72,93)(H,73,81)(H,74,83)(H,75,91)(H,76,90)/b22-20+,23-21+/t35-,39-,40+,41+,42+,43-,49-,50-,51+,52-,53+,54-,55-,56+,57+,58-,66?,67+/m1/s1
InChIKeyDWRWPHQGQOXAFG-CQWOXMRWSA-N
Species of MetaboliteComponentSourceComments
Kitasatospora (ncbitaxon:2063) - DOI (10.1039/c9sc00815b)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Kitacinnamycin A (CHEBI:220362) is a cyclodepsipeptide (CHEBI:35213)