CHEBI:74210 - N-(2-hydroxyheptacosanoyl)-4-hydroxy-15-methylhexadecasphinganine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-(2-hydroxyheptacosanoyl)-4-hydroxy-15-methylhexadecasphinganine
ChEBI ID CHEBI:74210
ChEBI ASCII Name N-(2-hydroxyheptacosanoyl)-4-hydroxy-15-methylhexadecasphinganine
Definition A N-acyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 27 carbons and 0 double bonds and is 2-hydroxylated.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter abridge
Supplier Information
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Formula C44H89NO5
Net Charge 0
Average Mass 712.18120
Monoisotopic Mass 711.67407
InChI InChI=1S/C44H89NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-31-34-37-42(48)44(50)45-40(38-46)43(49)41(47)36-33-30-27-25-24-26-29-32-35-39(2)3/h39-43,46-49H,4-38H2,1-3H3,(H,45,50)/t40-,41+,42?,43-/m0/s1
InChIKey SOZGTHPKFFKIBN-YIWOKQJZSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C
ChEBI Ontology
Outgoing N-(2-hydroxyheptacosanoyl)-4-hydroxy-15-methylhexadecasphinganine (CHEBI:74210) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-(2-hydroxyheptacosanoyl)-4-hydroxy-15-methylhexadecasphinganine (CHEBI:74210) is a N-acyl-15-methylhexadecaphytosphingosine (CHEBI:71234)
IUPAC Name
2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-15-methylhexadecan-2-yl]heptacosanamide
Synonym Source
N-(2-hydroxyheptacosanoyl)-4-hydroxy-15-methylhexadecadihydrosphingosine SUBMITTER
Last Modified
09 January 2014