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CHEBI:74199 - N-(2-hydroxyhenicosanoyl)-4-hydroxy-15-methylhexadecasphinganine

ChEBI IDCHEBI:74199
ChEBI NameN-(2-hydroxyhenicosanoyl)-4-hydroxy-15-methylhexadecasphinganine
Stars
ASCII NameN-(2-hydroxyhenicosanoyl)-4-hydroxy-15-methylhexadecasphinganine
DefinitionA N-acyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 21 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified9 January 2014
Submitterabridge
DownloadsMolfile
FormulaC38H77NO5
Net Charge0
Average Mass628.036
Monoisotopic Mass627.58017
SMILESCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C
InChIInChI=1S/C38H77NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-28-31-36(42)38(44)39-34(32-40)37(43)35(41)30-27-24-21-19-18-20-23-26-29-33(2)3/h33-37,40-43H,4-32H2,1-3H3,(H,39,44)/t34-,35+,36?,37-/m0/s1
InChIKeyBBGJKASZUCGLAG-FXKDJHKMSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxyhenicosanoyl)-4-hydroxy-15-methylhexadecasphinganine (CHEBI:74199) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-(2-hydroxyhenicosanoyl)-4-hydroxy-15-methylhexadecasphinganine (CHEBI:74199) is a N-acyl-15-methylhexadecaphytosphingosine (CHEBI:71234)
IUPAC Name 
2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-15-methylhexadecan-2-yl]henicosanamide
Synonym  Source
N-(2-hydroxyheneicosanoyl)-4-hydroxy-15-methylhexadecahydrosphingosineSUBMITTER