CHEBI:201342 - Chaxalactin 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 Chaxalactin A
ChEBI ID CHEBI:201342
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H40O4
Net Charge 0
Average Mass 440.624
Monoisotopic Mass 440.29266
InChI InChI=1S/C28H40O4/c1-5-6-17-26-18-9-7-8-16-25(29)21-27(30)24(4)15-11-14-22(2)12-10-13-23(3)19-20-28(31)32-26/h6-13,15-17,19-20,22,24-27,29-30H,5,14,18,21H2,1-4H3/b9-7+,12-10+,15-11+,16-8-,17-6+,20-19+,23-13+/t22-,24-,25-,26-,27+/m1/s1
InChIKey DDLYOXCLOXCDSG-AIEDZYBBSA-N
SMILES O=C1O[C@H](/C=C/CC)CC=CC=C[C@@H](O)C[C@H](O)[C@H](C)C=CC[C@@H](C=CC=C(C=C1)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Chaxalactin A (CHEBI:201342) is a macrolide (CHEBI:25106)
IUPAC Name
(3E,5E,7E,9S,11E,13R,14S,16S,17Z,19E,22S)-22-[(E)-but-1-enyl]-14,16-dihydroxy-5,9,13-trimethyl-1-oxacyclodocosa-3,5,7,11,17,19-hexaen-2-one
Manual Xref Database
78436752 ChemSpider
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