CHEBI:227197 - Retimycin A

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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 Retimycin A
ChEBI ID CHEBI:227197
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C55H66N10O15S2
Net Charge 0
Average Mass 1171.310
Monoisotopic Mass 1170.41505
InChI InChI=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
InChIKey KDRVEKPMWVHCOU-QVOODLETSA-N
SMILES S(=O)(C1SCC2N(C(=O)C(NC(=O)[C@@H]([C@H](OC(C3(N(C(C1N(C(=O)C(NC(=O)[C@H](NC(=O)C4=NC=5C(=CC=CC5)C=C4O)[C@@H](C)OC(C6(N(C2=O)C)C(C)C6)=O)C)C)=O)C)C(C)C3)=O)C)NC(=O)C7=NC=8C(=CC=CC8)C=C7O)C)C)C
Metabolite of Species Details
Salinispora arenicola (NCBI:txid168697) See: PubMed
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 Retimycin A (CHEBI:227197) is a cyclodepsipeptide (CHEBI:35213)
Manual Xref Database
40256793 ChemSpider
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