Structure Database (LMSD)

Common Name
4,4'-Diapo-zeta-carotene
Systematic Name
Synonyms
LM ID
LMPR01070142
Formula
C30H44
Exact Mass
Calculate m/z
404.3443
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

String Representations

InChiKey (Click to copy)
JJMKRPXUHIPSAW-ZOKJSSERSA-N
InChi (Click to copy)
InChI=1S/C30H44/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,13-18,21-24H,11-12,19-20H2,1-8H3/b10-9+,21-13+,22-14+,27-17+,28-18+,29-23+,30-24+
SMILES (Click to copy)
C/C(/C)=C/CC/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/C

Other Databases

CHEBI ID
62742
LIPIDBANK ID
VCA1060
PubChem CID
11315692
Carotenoid ID
CA00006

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 503.80
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 9.93
Molar Refractivity 139.78

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Created at
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Updated at
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