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(Q120205424)
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English
9S,11R,15R-trihydroxy-15-methyl-5Z,13E-prostadienoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
368.2562742519999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
CTK1C1115
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
carboprost
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₆O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCC(C)(O)C=CC1C(O)CC(O)C1CC=CCCCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
[C@H]1(/C=C/[C@](C)(O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O
0 references
Identifiers
InChI
InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,19-,21-/m1/s1
1 reference
based on heuristic
inferred from SMILES
InChIKey
DLJKPYFALUEJCK-KKIXJVLHSA-N
0 references
PubChem CID
5283104
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DLJKPYFALUEJCK-KKIXJVLHSA-N
ChEBI ID
186036
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,19-,21-/m1/s1
UniChem compound ID
27326882
1 reference
stated in
UniChem
UNII
KJ0LQC3LV9
1 reference
matched by identifier from
InChIKey
InChIKey
DLJKPYFALUEJCK-KKIXJVLHSA-N
LIPID MAPS ID
LMFA03010121
0 references
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