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N-oleoylphytosphingosine

PropertiesImage
MNX_IDMNXM147178 Image of MNXM147178
referencechebi:85204
formulaC36H71NO4
global charge0
mol weight581.967
InChIKeyATGQXSBKTQANOH-UWVGARPKSA-N
InChIInChI=1S/C36H71NO4/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-35(40)37-33(32-38)36(41)34(39)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,33-34,36,38-39,41H,3-16,19-32H2,1-2H3,(H,37,40)/b18-17-/t33-,34+,36-/m0/s1
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C36H71NO4/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-35(40)37-33(32-38)36(41)34(39)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,33-34,36,38-39,41H,3-16,19-32H2,1-2H3,(H,37,40)/b18-17-/t33-,34+,36-/m0/s1 Image of MNXM147178
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:18]\[CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C:35]([NH:37][C@@H:33]([CH2:32][OH:38])[C@@H:36]([C@@H:34]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:39])[OH:41])=[O:40]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:85204
chebi:85204
ATGQXSBKTQANOH-UWVGARPKSA-N
N-oleoylphytosphingosine
(9Z)-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]octadec-9-enamide
Cer(t18:0/18:1n-9)
N-(9Z-octadecenoyl)-(4R)-hydroxysphinganine
N-(9Z-octadecenoyl)phytosphingosine
N-oloeoyl-4-hydroxysphinganine
PHCer C18:1(n-9)
metatlas:MAM20072
ATGQXSBKTQANOH-UWVGARPKSA-N
N-(9Z-octadecenoyl)-(4R)-hydroxysphinganine

SLM:000390102
slm:000390102
ATGQXSBKTQANOH-UWVGARPKSA-N
N-(9Z-octadecenoyl)-4-hydroxysphinganine
Cer(t18:0/18:1(9Z))
Ceramide (t18:0/18:1(9Z))

vmhM:psphgs_oleic
vmhM:psphgs_oleic
vmhmetabolite:psphgs_oleic
vmhmetabolite:psphgs_oleic
ATGQXSBKTQANOH-UWVGARPKSA-N
N-oleoylphytosphingosine

metatlas:MAM20072g
metatlas:MAM20072r
vmhM:phytsphgs_Nocdcea
vmhM:phytsphgs_Nocdcea
vmhM:M_psphgs_oleic
secondary/obsolete/fantasy identifier