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ChEBI
> Main
CHEBI:18209 - CoM-S-S-CoB
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ChEBI Name
CoM-S-S-CoB
ChEBI ID
CHEBI:18209
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:3809, CHEBI:23353, CHEBI:45485, CHEBI:12619, CHEBI:14012, CHEBI:13299
Supplier Information
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Molfile
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Molfile
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Formula
C13H26NO10PS3
Net Charge
0
Average Mass
483.51804
Monoisotopic Mass
483.04565
InChI
InChI=1S/C13H26NO10PS3/c1-
10(24-
25(18,19)
20)
12(13(16)
17)
14-
11(15)
6-
4-
2-
3-
5-
7-
26-
27-
8-
9-
28(21,22)
23/h10,12H,2-
9H2,1H3,(H,14,15)
(H,16,17)
(H2,18,19,20)
(H,21,22,23)
/t10-
,12+/m1/s1
InChIKey
OBGQLHXSMIBYLN-PWSUYJOCSA-N
SMILES
C[C@@H](OP(O)(O)=O)[C@H](NC(=O)CCCCCCSSCCS(O)(=O)=O)C(O)=O
ChEBI Ontology
Outgoing
CoM-S-S-CoB (
CHEBI:18209
)
has functional parent
O
-phospho-
L
-threonine (
CHEBI:37525
)
CoM-S-S-CoB (
CHEBI:18209
)
is a
S
-substituted coenzyme M (
CHEBI:23356
)
CoM-S-S-CoB (
CHEBI:18209
)
is a
organic disulfide (
CHEBI:35489
)
CoM-S-S-CoB (
CHEBI:18209
)
is conjugate acid of
CoM-S-S-CoB(4−) (
CHEBI:58411
)
Incoming
CoM-S-S-CoB(4−) (
CHEBI:58411
)
is conjugate base of
CoM-S-S-CoB (
CHEBI:18209
)
IUPAC Name
O
-phosphono-
N
-{7-[(2-sulfoethyl)disulfanyl]heptanoyl}-
L
-threonine
Synonyms
Sources
Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide
KEGG COMPOUND
Coenzyme M-HTP heterodisulfide
KEGG COMPOUND
CoM-S-S-CoB
KEGG COMPOUND
N-{7-[(2-Sulfoethyl)dithio]heptanoyl}-3-O-phospho-L-threonine
KEGG COMPOUND
O-PHOSPHONO-N-{(2E)-7-[(2-SULFOETHYL)DITHIO]HEPT-2-ENOYL}-L-THREONINE
PDBeChem
Manual Xrefs
Databases
C04832
KEGG COMPOUND
MOL000133
COMe
SHT
PDBeChem
View more database links
Last Modified
31 March 2014