CHEBI:226841 - Hamuramicin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Hamuramicin A
ChEBI ID CHEBI:226841
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H50O7
Net Charge 0
Average Mass 582.778
Monoisotopic Mass 582.35565
InChI InChI=1S/C35H50O7/c1-7-14-29(36)21-19-27(5)34(40)28(6)32-18-12-10-8-9-11-17-30(37)35(41)26(4)16-13-15-24(2)23-31(38)25(3)20-22-33(39)42-32/h7-17,20,23,27-32,34,36-38,40H,18-19,21-22H2,1-6H3/b9-8+,12-10+,14-7-,15-13+,17-11+,24-23+,25-20+,26-16+/t27-,28-,29?,30?,31?,32-,34-/m1/s1
InChIKey USLJRYMOVSWXTE-FYIXLMIJSA-N
SMILES O=C1C(=CC=CC(=CC(O)C(=CCC(=O)O[C@H](CC=CC=CC=CC1O)[C@H]([C@H](O)[C@@H](CCC(O)/C=C\C)C)C)C)C)C
Metabolite of Species Details
Allostreptomyces (NCBI:txid1914443) See: PubMed
ChEBI Ontology
Outgoing Hamuramicin A (CHEBI:226841) is a macrolide (CHEBI:25106)
IUPAC Name
(4E,7E,9E,11E,15E,17E,19E,22R)-22-[(Z,2S,3R,4R)-3,7-dihydroxy-4-methyldec-8-en-2-yl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione
Manual Xref Database
78445367 ChemSpider
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