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PI(18:0/18:3(9Z,12Z,15Z))

MNXM32542 is deprecated and here replaced by MNXM1369084
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1369084 Image of MNXM1369084
referencechebi:88579
formulaC45H81O13P
global charge0
mol weight861.104
InChIKeyULRXGRJFRFBBDW-ORXDMRBTSA-N
InChIInChI=1S/C45H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,37,40-45,48-52H,3-5,7,9-11,13,15-17,19,21-36H2,1-2H3,(H,53,54)/b8-6-,14-12-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O
MNX internals
InChI (mnx)InChI=1/C45H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,37,40-45,48-52H,3-5,7,9-11,13,15-17,19,21-36H2,1-2H3,(H,53,54)/b8-6-,14-12-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1 Image of MNXM1369084
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:38](=[O:46])[O:55][CH2:35][C@H:37]([CH2:36][O:56][P:59]([OH:53])(=[O:54])[O:58][C@@H:45]1[CH:43]([OH:51])[C@H:41]([OH:49])[CH:40]([OH:48])[CH:42]([OH:50])[CH:44]1[OH:52])[O:57][C:39]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O: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:88579
chebi:88579
ULRXGRJFRFBBDW-ORXDMRBTSA-N 		PI(18:0/18:3(9Z,12Z,15Z))
1-Octadecanoyl-2-(9Z,12Z,15Z-octadeatrienoyl)-sn-glycero-3-phospho-(1'-myo-inositol)
1-Stearoyl-2-a-linolenoyl-sn-glycero-3-phosphoinositol
1-Stearoyl-2-alpha-linolenoyl-sn-glycero-3-phosphoinositol
PI(18:0/18:3)
PI(18:0/18:3n3)
PI(18:0/18:3w3)
PI(36:3)
PIno(18:0/18:3)
PIno(18:0/18:3n3)
PIno(18:0/18:3w3)
PIno(36:3)
Phosphatidylinositol(18:0/18:3)
Phosphatidylinositol(18:0/18:3n3)
Phosphatidylinositol(18:0/18:3w3)
Phosphatidylinositol(36:3)
[(2R)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-3-(octadecanoyloxy)propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid
hmdb:HMDB0009811
ULRXGRJFRFBBDW-ORXDMRBTSA-N 		PI(18:0/18:3(9Z,12Z,15Z))
(2R)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-3-(octadecanoyloxy)propoxy([(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid
1-Octadecanoyl-2-(9Z,12Z,15Z-octadeatrienoyl)-sn-glycero-3-phospho-(1'-myo-inositol)
1-Octadecanoyl-2-(9Z,12Z,15Z-octadeatrienoyl)-sn-glycero-3-phosphoinositol
1-Stearoyl-2-a-linolenoyl-sn-glycero-3-phosphoinositol
PI(18:0/18:3)
PI(36:3)
PIno(18:0/18:3)
PIno(36:3)
Phosphatidylinositol(18:0/18:3)
Phosphatidylinositol(36:3)
[(2R)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-3-(octadecanoyloxy)propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid

hmdb:HMDB09811 		secondary/obsolete/fantasy identifier