CHEBI:215534 - Borrelidin H

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 Borrelidin H
ChEBI ID CHEBI:215534
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H43NO6
Net Charge 0
Average Mass 489.653
Monoisotopic Mass 489.30904
InChI InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5-,21-8+/t17-,18+,19-,20-,22+,23+,24-,25-,27-/m0/s1
InChIKey OJCKRNPLOZHAOU-PJMPWRDCSA-N
SMILES O=C1O[C@H]([C@H]2[C@H](C(=O)O)CCC2)CC=CC=C(C#N)[C@@H](O)[C@@H](C)C[C@@H](C[C@@H](C[C@@H]([C@H](C1)O)C)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Borrelidin H (CHEBI:215534) is a macrolide (CHEBI:25106)
IUPAC Name
(1R,2R)-2-[(2S,4Z,6E,8S,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid
Manual Xref Database
71048446 ChemSpider
View more database links