7,9,9'-Tri-cis-neurosporene
Basic information
- CAS
10467-46-6- Standard SMILES
CC(C)=CCC/C(C)=C/C=C\C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)CC/C=C(\C)CCC=C(C)C- InChIKey
ATCICVFRSJQYDV-IFJQPPEWSA-N- Molecular formula
- C40H58
- Average molar mass
- 538.9 g/mol
- Monoisotopic mass
- 538.45385185
Overview
7,9,9'-tri-cis-neurosporene is an acyclic carotene having the structure 7',8'-dihydro-,-carotene with cis-double bonds at C-7, C-9 and C-9'.
Names & identifiers
- Preferred name
- 7,9,9'-Tri-cis-neurosporene
- IUPAC
- (6E,8Z,10Z,12E,14E,16E,18E,20E,22Z,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene
Names & synonyms
proneurosporene7,9,9'-tri-cis-neurosporene7,9,9'-tricis-neurosporenetri-cis-neurosporene10467-46-6(9Z,7'Z,9'Z)-7,8-dihydro-psi,psi-carotene7-cis,9-cis,9'-cis-7',8'-dihydro-psi,psi-carotene7,9,9'-cis-neurosporene(6E,8Z,10Z,12E,14E,16E,18E,20E,22Z,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene(7Z,9Z,9'Z)-NeurosporeneSCHEMBL30578160CHEBI:62463
Show more names
DTXSID401249039LMPR01070415(7Z,9Z,9'Z)-7,8-Dihydro-psi,psi-caroteneC19759(7cis,9cis,9'cis)-7',8'-Dihydro-psi,psi-caroteneQ27131927(7a(2)-cis,9-cis,9a(2)-cis)-7,8-Dihydro-I,I-carotene
Database identifiers
- CAS
10467-46-6- PubChem CID
- 25244751
- DTXSID
DTXSID401249039- ChEBI
CHEBI:62463- Nikkaji
- J2.160.174H
Properties
Computed structural properties
- XLogP
- 15.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 17
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,100
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C40 isoprenoids (tetraterpenes) [PR0107]
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…