chempirical

Leukotriene B4

C20H32O4CAS 71160-24-2336.47 g/mol

Open in Covalent MOL file
OHOHOOH
AlcoholAlkeneCarboxylic acid

Properties

Molecular formula
C20H32O4
Molar mass
336.47 g/mol
Exact mass
336.2301 Da
logP
4.16Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
14
Stereocentres
R, Sin SMILES atom order
Double bonds
E, EE/Z, in SMILES order

Identifiers

CAS number
71160-24-2
SMILES
CCCCC/C=CC[C@@H](O)/C=C/C=C/C=C[C@@H](O)CCCC(=O)O
InChIKey
VNYSSYRCGWBHLG-AMOLWHMGSA-N
InChI
InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 6,8,10,14-Eicosatetraenoic acid, 5,12-dihydroxy-, (5S,6Z,8E,10E,12R,14Z)-
  • 6,8,10,14-Eicosatetraenoic acid, 5,12-dihydroxy-, [S-[R*,S*-(E,Z,E,Z)]]-
  • (5S,6Z,8E,10E,12R,14Z)-5,12-Dihydroxy-6,8,10,14-eicosatetraenoic acid
  • cis-Leukotriene B4
  • 5(S),12(R)-Dihydroxy-6-cis,8,10-trans,14-cis-eicosatetraenoic acid
  • LTB4
  • (5S,12R)-Leukotriene B4
  • 5,12-DiHETE
  • Leucotriene B4
  • (+)-Leukotriene B4
  • 5S,12R-Dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid

Work with Leukotriene B4

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Prostaglandin F2551-11-163 % similar Prostaglandin E2363-24-660 % similar Ricinoleic acid141-22-060 % similar trans-10-cis-12-Octadecadienoic acid2420-56-658 % similar Elaidic acid112-79-857 % similar Oleic acid112-80-157 % similar Erucic acid112-86-757 % similar Palmitoleic acid373-49-957 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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