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CHEBI:227197 - Retimycin A

ChEBI IDCHEBI:227197
ChEBI NameRetimycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H66N10O15S2
Net Charge0
Average Mass1171.322
Monoisotopic Mass1170.41505
SMILESCC1NC(=O)[C@H](NC(=O)c2nc3ccccc3cc2O)[C@@H](C)OC(=O)C2(CC2C)N(C)C(=O)C2C(S(C)=O)SCC(C(=O)N(C)C3(CC3C)C(=O)O[C@H](C)[C@@H](NC(=O)c3nc4ccccc4cc3O)C(=O)NC(C)C(=O)N2C)N(C)C1=O
InChIInChI=1S/C55H66N10O15S2/c1-25-22-54(25)52(76)79-29(5)39(61-46(71)41-37(67)21-32-17-13-15-19-34(32)59-41)44(69)57-28(4)48(73)63(8)42-50(75)65(10)55(23-26(55)2)53(77)80-30(6)38(60-45(70)40-36(66)20-31-16-12-14-18-33(31)58-40)43(68)56-27(3)47(72)62(7)35(49(74)64(54)9)24-81-51(42)82(11)78/h12-21,25-30,35,38-39,42,51,66-67H,22-24H2,1-11H3,(H,56,68)(H,57,69)(H,60,70)(H,61,71)/t25?,26?,27?,28?,29-,30-,35?,38-,39-,42?,51?,54?,55?,82?/m1/s1
InChIKeyKDRVEKPMWVHCOU-QVOODLETSA-N
Species of MetaboliteComponentSourceComments
Salinispora arenicola (ncbitaxon:168697) - PubMed (25865308)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Retimycin A (CHEBI:227197) is a cyclodepsipeptide (CHEBI:35213)
Manual XrefsDatabases
40256793ChemSpider