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CHEBI:196408 - 30-(-2-(O-2-hydroxy-ethane)-3-hydroxy-propane)-hopane

ChEBI IDCHEBI:196408
ChEBI Name30-(-2-(O-2-hydroxy-ethane)-3-hydroxy-propane)-hopane
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SubmitterMetaboLights
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FormulaC35H62O3
Net Charge0
Average Mass530.878
Monoisotopic Mass530.46990
SMILESCC(CCC(CO)OCCO)C1CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]3(C)CCCC(C)(C)C3CC[C@]21C
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
InChIKeyVATZXSUGJNAQRP-LQYVDQGMSA-N
ChEBI Ontology
Outgoing Relation(s)
30-(-2-(O-2-hydroxy-ethane)-3-hydroxy-propane)-hopane (CHEBI:196408) is a hopanoid (CHEBI:51963)
IUPAC Name 
5-[(5aR,5bR,11aS,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2-(2-hydroxyethoxy)hexan-1-ol
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