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CHEBI:220410 - Kitacinnamycin M

ChEBI IDCHEBI:220410
ChEBI NameKitacinnamycin M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC67H98N10O23
Net Charge0
Average Mass1411.568
Monoisotopic Mass1410.68063
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/CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)OC1=O
InChIInChI=1S/C67H98N10O23/c1-32(2)25-41-65(95)97-36(9)52(73-46(81)23-22-39-20-15-14-19-38(39)21-16-24-96-67-58(56(87)54(85)44(31-79)99-67)100-66-57(88)55(86)53(84)43(30-78)98-66)63(93)71-40(27-45(68)80)59(89)76-51(35(7)8)64(94)77(10)42(26-37-17-12-11-13-18-37)60(90)75-49(33(3)4)61(91)70-28-47(82)69-29-48(83)74-50(34(5)6)62(92)72-41/h11-23,32-36,40-44,49-58,66-67,78-79,84-88H,24-31H2,1-10H3,(H2,68,80)(H,69,82)(H,70,91)(H,71,93)(H,72,92)(H,73,81)(H,74,83)(H,75,90)(H,76,89)/b21-16+,23-22+/t36-,40-,41+,42+,43-,44-,49-,50-,51+,52-,53-,54-,55+,56+,57-,58-,66+,67-/m1/s1
InChIKeyOSKVJBMRZUATJB-IKYSAHLQSA-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 M (CHEBI:220410) is a cyclodepsipeptide (CHEBI:35213)