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ChEBI
> Main
CHEBI:62812 - heme
d
trans
-diol
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ChEBI Ontology
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ChEBI Name
heme
d
trans
-diol
ChEBI ID
CHEBI:62812
ChEBI ASCII Name
heme d trans-diol
Definition
A metallochlorin that is ferroheme
b
which is
trans
-dihydroxylated at positions 5 and 6.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Molfile
Formula
C34H34FeN4O6
Net Charge
0
Average Mass
650.50200
Monoisotopic Mass
650.18277
InChI
InChI=1S/C34H36N4O6.Fe/c1-
7-
20-
17(3)
23-
13-
24-
19(5)
22(9-
10-
31(39)
40)
28(37-
24)
16-
30-
34(44,12-
11-
32(41)
42)
33(6,43)
29(38-
30)
15-
27-
21(8-
2)
18(4)
25(36-
27)
14-
26(20)
35-
23;/h7-
8,13-
16,43-
44H,1-
2,9-
12H2,3-
6H3,(H4,35,36,37,38,39,40,41,42)
;/q;+2/p-
2/t33-
,34-
;/m1./s1
InChIKey
GFRHEDKPMCXPFU-YDXXJHAFSA-L
SMILES
Cc1c(C=C)
c2C=C3[N+]
4=C(C=c5c(CCC(O)
=O)
c(C)
c6=CC7=[N+]
8C(=Cc1n2[Fe-
-
]
48n56)
C(C=C)
=C7C)
[C@]
(O)
(CCC(O)
=O)
[C@]
3(C)
O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
heme
)
prosthetic group
A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity.
(via
heme
)
cofactor
An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
(via
porphyrins
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
heme
d
trans
-diol (
CHEBI:62812
)
has functional parent
ferroheme
b
(
CHEBI:17627
)
heme
d
trans
-diol (
CHEBI:62812
)
is a
dicarboxylic acid (
CHEBI:35692
)
heme
d
trans
-diol (
CHEBI:62812
)
is a
diol (
CHEBI:23824
)
heme
d
trans
-diol (
CHEBI:62812
)
is a
ferroheme (
CHEBI:38573
)
heme
d
trans
-diol (
CHEBI:62812
)
is a
metallochlorin (
CHEBI:62804
)
heme
d
trans
-diol (
CHEBI:62812
)
is a
tertiary alcohol (
CHEBI:26878
)
heme
d
trans
-diol (
CHEBI:62812
)
is conjugate acid of
heme
d
trans
-diol(2−) (
CHEBI:62813
)
Incoming
heme
d
trans
-diol(2−) (
CHEBI:62813
)
is conjugate base of
heme
d
trans
-diol (
CHEBI:62812
)
IUPAC Name
{3,3'-
[(2
R
S
,3
R
S
)-
7,12-
diethenyl-
2,3-
dihydroxy-
3,8,13,17-
tetramethyl-
2,3-
dihydroporphyrin-
2,18-
diyl-
κ
4
N
21
,
N
22
,
N
23
,
N
24
]dipropanoato(2−)}iron
Synonyms
Sources
ferroheme
d
trans
-diol
ChEBI
haem
d
trans
-diol
ChEBI
Citation
Type
Source
8621527
PubMed citation
Europe PMC
Last Modified
14 August 2018