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(Q115966196)
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English
2-[4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetic acid
group of stereoisomers with the chemical formula C₂₆H₄₃NO₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
449.314123476
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₄₃NO₅
0 references
canonical SMILES
O=C(O)CNC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
0 references
found in taxon
Homo sapiens
1 reference
stated in
A community-driven global reconstruction of human metabolism.
Identifiers
InChI
InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)
0 references
InChIKey
GHCZAUBVMUEKKP-UHFFFAOYSA-N
0 references
PubChem CID
27929
2 references
stated in
PubChem
retrieved
3 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GHCZAUBVMUEKKP-UHFFFAOYSA-N
ChEBI ID
180956
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)
UniChem compound ID
62943437
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0242392
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GHCZAUBVMUEKKP-UHFFFAOYSA-N
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