Structure database (LMSD)

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LM IDLMPR03080011
Common Namedolichyl-4-D-xylosyl phosphate
Systematic Namedolichyl-4-D-xylosyl phosphate
Synonyms-
Exact Mass
572.3478 (neutral)    Calculate m/z:
FormulaC30H53O8P
CategoryPrenol Lipids [PR]
Main ClassPolyprenols [PR03]
Sub ClassDolichol monophosphates [PR0308]
PubChem CID70698924
KEGG IDC01191
CHEBI ID17298
InChIKeyQNWDPUAQSUCTOR-QYHMPNNMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H53O8P/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)17-10-18-26(6)
19-20-37-39(34,35)38-30-29(33)28(32)27(31)21-36-30/h11,13,15,17,26-33H,7-10,12,1
4,16,18-21H2,1-6H3,(H,34,35)/b23-13+,24-15+,25-17-/t26?,27-,28+,29?,30+/m1/s1
SMILESC(/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)C/C(=C\CCC(CCOP(O[C@@H]1OC[C@@H](O)[C@H](O)C1
O)(O)=O)C)/C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms39Rings1Aromatic Rings0Rotatable Bonds18
 van der Waals
Molecular Volume
594.79Topological Polar
Surface Area
127.75Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
8
 logP8.40Molar
Refractivity
158.93