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ChEBI
> Main
CHEBI:25501 - neoxanthin
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ChEBI Ontology
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ChEBI Name
neoxanthin
ChEBI ID
CHEBI:25501
Definition
An epoxycarotenoid that is 6,7-didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-β,β-carotene which is substituted by hydroxy groups at the 3, 3', and 5 positions.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C40H56O4
Net Charge
0
Average Mass
600.87020
Monoisotopic Mass
600.41786
InChI
InChI=1S/C40H56O4/c1-
29(17-
13-
19-
31(3)
21-
22-
35-
36(5,6)
25-
33(41)
27-
38(35,9)
43)
15-
11-
12-
16-
30(2)
18-
14-
20-
32(4)
23-
24-
40-
37(7,8)
26-
34(42)
28-
39(40,10)
44-
40/h11-
21,23-
24,33-
34,41-
43H,25-
28H2,1-
10H3/t22-
,33-
,34-
,38+,39+,40-
/m0/s1
InChIKey
PGYAYSRVSAJXTE-QLIYCPSBSA-N
SMILES
[H]
C(=CC([H]
)
=C(C)
C([H]
)
=CC([H]
)
=C(C)
C([H]
)
=C=C1C(C)
(C)
C[C@H]
(O)
C[C@@]
1(C)
O)
C=C(C)
C=C([H]
)
C=C(C)
C=C([H]
)
[C@@]
12O[C@]
1(C)
C[C@@H]
(O)
CC2(C)
C
ChEBI Ontology
Outgoing
neoxanthin (
CHEBI:25501
)
is a
allenes (
CHEBI:37602
)
neoxanthin (
CHEBI:25501
)
is a
epoxycarotenol (
CHEBI:35307
)
Incoming
9'-
cis
-neoxanthin (
CHEBI:35306
)
is a
neoxanthin (
CHEBI:25501
)
all
-
trans
-neoxanthin (
CHEBI:32446
)
is a
neoxanthin (
CHEBI:25501
)
Synonym
Source
all-trans-Neoxanthin
KEGG COMPOUND
Manual Xrefs
Databases
C00003780
KNApSAcK
C08606
KEGG COMPOUND
View more database links
Registry Number
Type
Source
30743-41-0
CAS Registry Number
KEGG COMPOUND
Last Modified
15 January 2019