MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol)

MNXM75491 is deprecated and here replaced by MNXM1370750
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1370750
reference	chebi:72835
formula	C₄₁H₇₈O₁₃P
global charge	-1
mol weight	810.036
InChIKey	IBUKXRINTKQBRQ-KCKFLZCVSA-M
InChI	InChI=1S/C41H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50)/p-1/t33-,36-,37-,38+,39-,40-,41-/m1/s1
SMILES	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C41H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50)/t33-,36-,37-,38+,39-,40-,41-/m1/s1
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][C:34](=[O:42])[O:51][CH2:31][C@H:33]([CH2:32][O:52][P:55]([OH:49])(=[O:50])[O:54][C@@H:41]1[C@H:39]([OH:47])[C@H:37]([OH:45])[C@@H:36]([OH:44])[C@H:38]([OH:46])[C@H:40]1[OH:48])[O:53][C:35]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:43]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:72835 chebi:72835 IBUKXRINTKQBRQ-KCKFLZCVSA-M	1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol) (2R)-2,3-bis(hexadecanoyloxy)propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate 1,2-dihexadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1-) 1,2-dipalmitoyl-sn-glycero-3-phospho-D-myo-inositol(1-) PI(16:0/16:0) dipalmitoyl-L-1-phosphatidyl-inositol
SLM:000000809 slm:000000809 IBUKXRINTKQBRQ-KCKFLZCVSA-M	1,2-dihexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol PI(16:0/16:0) Phosphatidylinositol (16:0/16:0)
CHEBI:73229 chebi:73229 IBUKXRINTKQBRQ-KCKFLZCVSA-N	1,2-dihexadecanoyl-sn-glycero-3-phospho-D-myo-inositol 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol) 1,2-dipalmitoyl-sn-glycero-3-phospho-D-myo-inositol Dipalmitoyl phosphatidylinositol PI(16:0/16:0) PI(32:0) PIno(16:0/16:0) PIno(32:0) Phosphatidylinositol(16:0/16:0) Phosphatidylinositol(32:0) dipalmitoyl-L-1-phosphatidyl-inositol
lipidmaps:LMGP06010007 lipidmapsM:LMGP06010007 IBUKXRINTKQBRQ-KCKFLZCVSA-N	PI(16:0/16:0) 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol) Dipalmitoyl phosphatidylinositol PI 32:0 PI(16:0/16:0) PI(32:0)