CHEBI:221563 - Halymecin D

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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 Halymecin D
ChEBI ID CHEBI:221563
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C40H74O15
Net Charge 0
Average Mass 795.017
Monoisotopic Mass 794.50277
InChI InChI=1S/C40H74O15/c1-5-7-9-15-29(43)19-30(44)24-38(50)55-36(18-12-14-28(4)42)22-33(47)26-39(51)53-34(16-10-8-6-2)21-32(46)25-40(52)54-35(17-11-13-27(3)41)20-31(45)23-37(48)49/h27-36,41-47H,5-26H2,1-4H3,(H,48,49)/t27?,28?,29-,30+,31+,32+,33+,34+,35+,36+/m0/s1
InChIKey DINLGKBBYJNJHA-PWMHDYCUSA-N
SMILES O=C(O[C@@H](C[C@@H](O)CC(=O)O)CCCC(O)C)C[C@H](O)C[C@H](OC(=O)C[C@H](O)C[C@H](OC(=O)C[C@H](O)C[C@@H](O)CCCCC)CCCC(O)C)CCCCC
Metabolite of Species Details
Acremonium (NCBI:txid159075) See: PubMed
ChEBI Ontology
Outgoing Halymecin D (CHEBI:221563) has functional parent tetracarboxylic acid (CHEBI:35742)
Halymecin D (CHEBI:221563) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3R,5R)-5-[(3R,5R)-5-[(3R,5R)-5-[(3R,5S)-3,5-dihydroxydecanoyl]oxy-3,9-dihydroxydecanoyl]oxy-3-hydroxydecanoyl]oxy-3,9-dihydroxydecanoic acid