CHEBI:220386 - Kitacinnamycin F

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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 F
ChEBI ID CHEBI:220386
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C56H78N10O14
Net Charge 0
Average Mass 1115.296
Monoisotopic Mass 1114.56990
InChI InChI=1S/C56H78N10O14/c1-11-33(8)48-55(78)66(10)40(26-35-17-13-12-14-18-35)51(74)64-46(31(4)5)52(75)59-28-43(69)58-29-44(70)63-47(32(6)7)53(76)61-39(25-30(2)3)56(79)80-34(9)49(54(77)60-38(27-41(57)67)50(73)65-48)62-42(68)23-21-36-19-15-16-20-37(36)22-24-45(71)72/h12-24,30-34,38-40,46-49H,11,25-29H2,1-10H3,(H2,57,67)(H,58,69)(H,59,75)(H,60,77)(H,61,76)(H,62,68)(H,63,70)(H,64,74)(H,65,73)(H,71,72)/b23-21+,24-22+/t33-,34-,38-,39+,40+,46-,47-,48+,49-/m1/s1
InChIKey SXPYRMLACQGKQW-ZPFFMEEVSA-N
SMILES O=C1O[C@@H]([C@@H](NC(=O)/C=C/C2=C(C=CC=C2)/C=C/C(=O)O)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)CC3=CC=CC=C3)C)[C@@H](CC)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 F (CHEBI:220386) is a cyclodepsipeptide (CHEBI:35213)