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(Q106345520)
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English
L-lombricine dizwitterion
chemical compound
(9S)-1-amino-9-azaniumyl-1-iminio-6-oxido-5,7-dioxa-2-aza-6-phosphadecan-10-oate 6-oxide
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
part of
lombricine kinase activity
1 reference
reference URL
http://geneontology.org/external2go/rhea2go
retrieved
1 February 2021
mass
270.07292083
dalton
1 reference
based on heuristic
inferred from SMILES
tautomer of
L-lombricine
1 reference
stated in
ChEBI release 2021-03-01
chemical formula
C₆H₁₅N₄O₆P
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
N=C(N)NCCOP(=O)(O)OCC(N)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
N=C(N)NCCOP(=O)(O)OC[C@H](N)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C6H15N4O6P/c7-4(5(11)12)3-16-17(13,14)15-2-1-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H,13,14)(H4,8,9,10)/t4-/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
GSDBGCKBBJVPNC-BYPYZUCNSA-N
1 reference
stated in
ChEBI release 2021-03-01
CAS Registry Number
18416-85-8
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
46931096
1 reference
matched by identifier from
InChIKey
InChIKey
GSDBGCKBBJVPNC-BYPYZUCNSA-N
159847
1 reference
matched by identifier from
InChIKey
InChIKey
GSDBGCKBBJVPNC-BYPYZUCNSA-N
ChEBI ID
57825
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C6H15N4O6P/c7-4(5(11)12)3-16-17(13,14)15-2-1-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H,13,14)(H4,8,9,10)/t4-/m0/s1
16585
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C6H15N4O6P/c7-4(5(11)12)3-16-17(13,14)15-2-1-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H,13,14)(H4,8,9,10)/t4-/m0/s1
SureChEMBL ID
SCHEMBL62710
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GSDBGCKBBJVPNC-BYPYZUCNSA-N
DSSTox substance ID
DTXSID20171544
1 reference
matched by identifier from
InChIKey
InChIKey
GSDBGCKBBJVPNC-BYPYZUCNSA-N
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