KEGG COMPOUND: C00114

COMPOUND: C00114

Entry

C00114                      Compound

Name

Choline;
Bilineurine

Formula

C5H14NO

Exact mass

104.1075

Mol weight

104.17

Structure

Remark

Same as:

D07690

Reaction

R01021 R01022 R01023 R01025 R01026 R01027 R01028 R01029
R01030 R01310 R02381 R02542 R03075 R05739 R05794 R06871
R07377 R07386 R07409 R08212 R08557 R08558 R10285

Pathway

map00260

Glycine, serine and threonine metabolism

map00552

Teichoic acid biosynthesis

map00564

Glycerophospholipid metabolism

map01100

Metabolic pathways

map02010

ABC transporters

map04725

Cholinergic synapse

map04976

Bile secretion

map05231

Choline metabolism in cancer

Module

M00090

Phosphatidylcholine (PC) biosynthesis, choline => PC

M00555

Betaine biosynthesis, choline => betaine

Enzyme

1.1.1.1         1.1.3.17        1.1.99.1        1.14.15.7
2.3.1.6         2.3.1.91        2.6.-.-         2.7.1.32
2.7.8.24        2.8.2.6         3.1.1.7         3.1.1.8
3.1.1.49        3.1.3.75        3.1.4.2         3.1.4.4
3.1.4.41        3.1.4.46        3.1.6.6         4.3.99.4

Brite

Pesticides [BR:br08007]
Pesticides
  Plant growth regulators
   Others
    C00114  Choline
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
  Inorganic and organic chemicals
   Choline
    C00114  Choline

Other DBs

CAS:

62-49-7

PubChem:

3414

ChEBI:

15354

KNApSAcK:

C00007298

PDB-CCD:

CHT[PDBj]

NIKKAJI:

J4.822D

KCF data

ATOM        7
            1   C1a C     6.1600  -12.6700
            2   N1d N     7.3724  -11.9700 #+
            3   C1b C     8.5849  -12.6700
            4   C1b C     9.7973  -11.9700
            5   O1a O    11.0097  -12.6700
            6   C1a C     7.3724  -10.5702
            7   C1a C     7.3724  -13.3700
BOND        6
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     2   6 1
            6     2   7 1

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