Structure database (LMSD)

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LM IDLMPR04000024
Common Name30-(-2-(O-2-hydroxy-ethane)-3-hydroxy-propane)-hopane
Systematic Name-
Synonyms-
Exact Mass
530.4699 (neutral)    Calculate m/z:
FormulaC35H62O3
CategoryPrenol Lipids [PR]
Main ClassHopanoids [PR04]
Sub Class-
PubChem Compound ID (CID)42608331
InChIKeyVATZXSUGJNAQRP-LQYVDQGMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C35H62O3/c1-24(9-10-25(23-37)38-22-21-36)26-13-18-32(4)27(26)14-19-34(6
)29(32)11-12-30-33(5)17-8-16-31(2,3)28(33)15-20-35(30,34)7/h24-30,36-37H,8-23H2,
1-7H3/t24?,25?,26?,27?,28?,29?,30?,32-,33-,34+,35+/m0/s1
SMILESCC1(C)CCC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]1(C)CCC1C(CC[C@@]12C)C(C)CCC(CO)OCCO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms38Rings5Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
578.63Topological Polar
Surface Area
49.69Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP9.40Molar
Refractivity
158.74    
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