CHEBI:218056 - Aurantimycin C

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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 Aurantimycin C
ChEBI ID CHEBI:218056
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H60N8O14
Net Charge 0
Average Mass 852.940
Monoisotopic Mass 852.42290
InChI InChI=1S/C38H60N8O14/c1-20(2)17-24-13-14-38(55,60-23(24)6)37(7,54)36(53)42-29-30(21(3)4)59-35(52)22(5)45(56)32(49)25-11-9-15-40-43(25)28(47)18-39-31(48)27(19-58-8)46(57)33(50)26-12-10-16-41-44(26)34(29)51/h15-16,20-27,29-30,54-57H,9-14,17-19H2,1-8H3,(H,39,48)(H,42,53)/t22-,23+,24+,25+,26-,27+,29+,30+,37+,38+/m1/s1
InChIKey BGCZAXFJHFGKJR-NSCUIBACSA-N
SMILES O=C1O[C@H]([C@H](NC(=O)[C@](O)([C@]2(O[C@H]([C@H](CC(C)C)CC2)C)O)C)C(=O)N3N=CCC[C@@H]3C(=O)N(O)[C@@H](COC)C(NCC(N4[C@H](C(N([C@@H]1C)O)=O)CCC=N4)=O)=O)C(C)C
Metabolite of Species Details
Streptomyces aurantiacus JA 4570 (NCBI:txid1286094) 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 Aurantimycin C (CHEBI:218056) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2R)-N-[(6S,9R,16S,17S,20R,23S)-7,21-dihydroxy-6-(methoxymethyl)-20-methyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosa-12,26-dien-16-yl]-2-hydroxy-2-[(2S,5S,6S)-2-hydroxy-6-methyl-5-(2-methylpropyl)oxan-2-yl]propanamide
Manual Xref Database
8638685 ChemSpider
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