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Cer(d16:1(4E)(1OH,3OH)(15Me)/26:0(2OH[R]))

PropertiesImage
MNX_IDMNXM106904 Image of MNXM106904
referencechebi:143837
formulaC43H85NO4
global charge0
mol weight680.156
InChIKeyFUNPOLWNRXNQQY-DBSGMXLSSA-N
InChIInChI=1S/C43H85NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-31-34-37-42(47)43(48)44-40(38-45)41(46)36-33-30-27-25-22-23-26-29-32-35-39(2)3/h33,36,39-42,45-47H,4-32,34-35,37-38H2,1-3H3,(H,44,48)/b36-33+/t40-,41+,42+/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C43H85NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-31-34-37-42(47)43(48)44-40(38-45)41(46)36-33-30-27-25-22-23-26-29-32-35-39(2)3/h33,36,39-42,45-47H,4-32,34-35,37-38H2,1-3H3,(H,44,48)/b36-33+/t40-,41+,42+/m0/s1 Image of MNXM106904
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:24][CH2:28][CH2:31][CH2:34][CH2:37][C@H:42]([C:43](=[N:44][C@@H:40]([CH2:38][OH:45])[C@@H:41](/[CH:36]=[CH:33]/[CH2:30][CH2:27][CH2:25][CH2:22][CH2:23][CH2:26][CH2:29][CH2:32][CH2:35][CH:39]([CH3:2])[CH3:3])[OH:46])[OH:48])[OH:47]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:143837
chebi:143837
FUNPOLWNRXNQQY-DBSGMXLSSA-N 		Cer(d16:1(4E)(1OH,3OH)(15Me)/26:0(2OH[R]))

SLM:000000184
slm:000000184
FUNPOLWNRXNQQY-ZQABLXSNSA-N 		N-(2-hydroxyhexacosanoyl)-15-methylhexadecasphing-4-enine
Cer(iso-d17:1(4E)/26:0-2OH)
N-(2-hydroxyhexacosanoyl)-15-methylhexadecasphingosine

CHEBI:71388
chebi:71388
FUNPOLWNRXNQQY-JBSSLLGASA-N 		N-(2-hydroxyhexacosanoyl)-15-methylhexadecasphing-4-enine
N-[(2S,3R,4E)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]-2-hydroxyhexacosanamide