CHEBI:213832 - Hirsutellone E

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 Hirsutellone E
ChEBI ID CHEBI:213832
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H35NO4
Net Charge 0
Average Mass 461.602
Monoisotopic Mass 461.25661
InChI InChI=1S/C29H35NO4/c1-3-4-18-8-12-20-22-13-16(2)5-11-21(22)27-25(20)24(18)26(31)23-15-29(33,30-28(23)32)14-17-6-9-19(34-27)10-7-17/h3-4,6-10,12,16,18,20-25,27,33H,5,11,13-15H2,1-2H3,(H,30,32)/b4-3-/t16-,18+,20+,21-,22+,23+,24+,25+,27+,29-/m1/s1
InChIKey BDMMASMTKZZIAT-FNUGVJIGSA-N
SMILES O=C1[C@H]2[C@H](C=C[C@@H]3[C@@H]2[C@@H](OC4=CC=C(C[C@]5(C[C@@H]1C(=O)N5)O)C=C4)[C@@H]6CC[C@H](C[C@@H]36)C)/C=C\C
Metabolite of Species Details
Hirsutella (NCBI:txid42367) See: DOI
ChEBI Ontology
Outgoing Hirsutellone E (CHEBI:213832) is a prostanoid (CHEBI:26347)
IUPAC Name
(3S,4R,7R,9S,10S,13S,14S,16S,19S,27S)-19-hydroxy-7-methyl-13-[(Z)-prop-1-enyl]-2-oxa-18-azahexacyclo[19.2.2.13,10.116,19.04,9.014,27]heptacosa-1(24),11,21(25),22-tetraene-15,17-dione
Manual Xref Database
78437499 ChemSpider
View more database links