CHEBI:69821 - 12-deoxyphorbaldehyde-13-hexadecanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 12-deoxyphorbaldehyde-13-hexadecanoate
ChEBI ID CHEBI:69821
Definition A natural product found in Euphorbia fischeriana.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C36H56O6
Net Charge 0
Average Mass 584.82620
Monoisotopic Mass 584.40769
InChI InChI=1S/C36H56O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(38)42-35-22-26(3)36(41)28(31(35)33(35,4)5)21-27(24-37)23-34(40)29(36)20-25(2)32(34)39/h20-21,24,26,28-29,31,40-41H,6-19,22-23H2,1-5H3/t26-,28+,29-,31-,34-,35+,36-/m1/s1
InChIKey NFTGKFBSWRGMSO-IEIRSVMLSA-N
SMILES [H][C@@]12C=C(C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)C[C@]1(OC(=O)CCCCCCCCCCCCCCC)[C@@]2([H])C1(C)C)C=O
Metabolite of Species Details
Euphorbia fischeriana (NCBI:txid1035560) Found in whole plant (BTO:0001461). 90% EtOH extract of dried and powdered plant See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 12-deoxyphorbaldehyde-13-hexadecanoate (CHEBI:69821) has role metabolite (CHEBI:25212)
12-deoxyphorbaldehyde-13-hexadecanoate (CHEBI:69821) is a phorbol ester (CHEBI:37532)
Synonym Source
(1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-Formyl-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl palmitate ChEBI
Citation Waiting for Citations Type Source
21534540 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary alcohol(CHEBI:26878); ISA:carboxylic ester(CHEBI:33308); ISA:ketone(CHEBI:17087); ISA:organic hydroxy compound(CHEBI:33822); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:aldehyde(CHEBI:17478);