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1-acetyl-2-tridecanoyl-sn-glycero-3-phospho-1D-myo-inositol-5-phosphate

PropertiesImage
MNX_IDMNXM343262 Image of MNXM343262
referenceslm:000437316
formulaC24H43O16P2
global charge-3
mol weight649.54
InChIKeyZJNBXDPAHGMQFA-BTCVBLHFSA-K
InChIInChI=1S/C24H46O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-18(26)38-17(14-36-16(2)25)15-37-42(34,35)40-24-21(29)19(27)20(28)23(22(24)30)39-41(31,32)33/h17,19-24,27-30H,3-15H2,1-2H3,(H,34,35)(H2,31,32,33)/p-3/t17-,19-,20-,21-,22-,23+,24-/m1/s1
SMILESCCCCCCCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C24H46O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-18(26)38-17(14-36-16(2)25)15-37-42(34,35)40-24-21(29)19(27)20(28)23(22(24)30)39-41(31,32)33/h17,19-24,27-30H,3-15H2,1-2H3,(H,34,35)(H2,31,32,33)/t17-,19-,20-,21-,22-,23+,24-/m1/s1 Image of MNXM343262
SMILES (mnx)[CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C:18](=[O:26])[O:38][C@H:17]([CH2:14][O:36][C:16]([CH3:2])=[O:25])[CH2:15][O:37][P:42]([OH:34])(=[O:35])[O:40][C@@H:24]1[C@H:21]([OH:29])[C@H:19]([OH:27])[C@@H:20]([OH:28])[C@H:23]([O:39][P:41]([OH:31])([OH:32])=[O:33])[C@H:22]1[OH:30]
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

SLM:000437316
slm:000437316
ZJNBXDPAHGMQFA-BTCVBLHFSA-K
1-acetyl-2-tridecanoyl-sn-glycero-3-phospho-1D-myo-inositol-5-phosphate
PIP[5](2:0/13:0)