CHEBI:198074 - Gageomacrolactin 2

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 Gageomacrolactin 2
ChEBI ID CHEBI:198074
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H46O10
Net Charge 0
Average Mass 578.699
Monoisotopic Mass 578.30910
InChI InChI=1S/C31H46O10/c1-22-14-8-4-3-5-10-18-25(38-2)20-23(33)15-9-6-11-16-24(17-12-7-13-19-27(34)39-22)40-31-30(37)29(36)28(35)26(21-32)41-31/h3,5-7,9-13,16,18-19,22-26,28-33,35-37H,4,8,14-15,17,20-21H2,1-2H3/b5-3+,9-6-,12-7+,16-11+,18-10?,19-13-/t22-,23+,24-,25+,26+,28+,29-,30+,31+/m1/s1
InChIKey RQTSCDVSKIOZMR-NZBJPMFZSA-N
SMILES O=C1O[C@@H](CCCC=CC=C[C@H](OC)C[C@@H](O)CC=CC=C[C@H](CC=CC=C1)O[C@H]2O[C@H]([C@H](O)[C@H]([C@@H]2O)O)CO)C
Metabolite of Species Details
Bacillus (NCBI:txid1386) See: PubMed
ChEBI Ontology
Outgoing Gageomacrolactin 2 (CHEBI:198074) is a macrolide (CHEBI:25106)
IUPAC Name
(3Z,5E,8S,9E,11Z,14S,16R,19E,24R)-14-hydroxy-16-methoxy-24-methyl-8-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one