CHEBI:220410 - Kitacinnamycin M

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Kitacinnamycin M
ChEBI ID CHEBI:220410
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C67H98N10O23
Net Charge 0
Average Mass 1411.568
Monoisotopic Mass 1410.68063
InChI InChI=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
InChIKey OSKVJBMRZUATJB-IKYSAHLQSA-N
SMILES O=C1O[C@@H]([C@@H](NC(=O)/C=C/C2=C(C=CC=C2)/C=C/CO[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)O)CO)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(NCC(NCC(N[C@@H](C(N[C@H]1CC(C)C)=O)C(C)C)=O)=O)=O)C(C)C)CC5=CC=CC=C5)C)C(C)C)CC(=O)N)C
Metabolite of Species Details
Kitasatospora (NCBI:txid2063) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Kitacinnamycin M (CHEBI:220410) is a cyclodepsipeptide (CHEBI:35213)