L-histidinol phosphate (CHEBI:16996)

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CHEBI:16996 - L-histidinol phosphate

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ChEBI Name	L-histidinol phosphate

ChEBI ID	CHEBI:16996

ChEBI ASCII Name	L-histidinol phosphate

Definition	The O-phospho derivative of L-histidinol.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:6242, CHEBI:21327, CHEBI:43319, CHEBI:13119

Supplier Information	ChemicalBook:CB8693422, eMolecules:481780, ZINC000018007499

Download	Molfile XML SDF

more structures >>

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Marvin 04160817173D

26 26 0 0 0 0 999 V2000

-0.8950 -1.6635 0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.8071 -2.3838 -0.6722 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.5907 -3.6007 -1.2064 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.9787 -1.9298 -1.1378 N 0 0 0 0 0 0 0 0 0 0 0 0

-3.4927 -2.8150 -1.9474 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.6599 -3.8738 -2.0165 N 0 0 0 0 0 0 0 0 0 0 0 0

0.4718 0.3968 0.6417 C 0 0 0 0 0 0 0 0 0 0 0 0

0.8844 1.6365 0.0655 O 0 0 0 0 0 0 0 0 0 0 0 0

1.8515 2.3493 1.1371 P 0 0 1 0 0 0 0 0 0 0 0 0

3.0181 1.4809 1.4051 O 0 0 0 0 0 0 0 0 0 0 0 0

2.3564 3.7604 0.5502 O 0 0 0 0 0 0 0 0 0 0 0 0

1.0420 2.5989 2.5061 O 0 0 0 0 0 0 0 0 0 0 0 0

0.2628 -0.5945 -1.5863 N 0 0 0 0 0 0 0 0 0 0 0 0

-0.4525 -0.3356 -0.3311 C 0 0 1 0 0 0 0 0 0 0 0 0

-4.4317 -2.7177 -2.4724 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.7942 -4.6785 -2.5406 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.7371 -4.2384 -1.0307 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.0201 -2.2790 0.4886 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.4270 -1.4708 1.2185 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.3282 0.2803 -0.5327 H 0 0 0 0 0 0 0 0 0 0 0 0

1.0619 -1.1652 -1.3521 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.3446 -1.1657 -2.1545 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.0591 0.5886 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0

1.3478 -0.2197 0.8441 H 0 0 0 0 0 0 0 0 0 0 0 0

2.9306 4.1541 1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0

0.2913 3.1681 2.2884 H 0 0 0 0 0 0 0 0 0 0 0 0

1 2 1 0 0 0 0

1 14 1 0 0 0 0

1 18 1 0 0 0 0

1 19 1 0 0 0 0

2 3 4 0 0 0 0

2 4 4 0 0 0 0

3 6 4 0 0 0 0

3 17 1 0 0 0 0

4 5 4 0 0 0 0

5 6 4 0 0 0 0

5 15 1 0 0 0 0

6 16 1 0 0 0 0

7 8 1 0 0 0 0

7 14 1 0 0 0 0

7 23 1 0 0 0 0

7 24 1 0 0 0 0

8 9 1 0 0 0 0

9 10 2 0 0 0 0

9 11 1 0 0 0 0

9 12 1 0 0 0 0

11 25 1 0 0 0 0

12 26 1 0 0 0 0

13 14 1 0 0 0 0

13 21 1 0 0 0 0

13 22 1 0 0 0 0

14 20 1 0 0 0 0

M END): 22 ms

reading 26 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

26 atoms created

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Formula

C6H12N3O4P

Net Charge

Average Mass

221.15106

Monoisotopic Mass

221.05654

InChI

InChI=1S/C6H12N3O4P/c7-5(3-13-14(10,11)12)1-6-2-8-4-9-6/h2,4-5H,1,3,7H2,(H,8,9)(H2,10,11,12)/t5-/m0/s1

InChIKey

CWNDERHTHMWBSI-YFKPBYRVSA-N

SMILES

N[C@H](COP(O)(O)=O)Cc1c[nH]cn1

Metabolite of Species	Details
Escherichia coli (NCBI:txid562)	See: PubMed

Roles Classification
Biological Role(s):	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	L-histidinol phosphate (CHEBI:16996) has functional parent L-histidinol (CHEBI:16255) L-histidinol phosphate (CHEBI:16996) has role Escherichia coli metabolite (CHEBI:76971) L-histidinol phosphate (CHEBI:16996) is a phosphoethanolamine (CHEBI:36711) L-histidinol phosphate (CHEBI:16996) is conjugate acid of L-histidinol phosphate(1−) (CHEBI:57980)

Incoming	L-histidinol phosphate(1−) (CHEBI:57980) is conjugate base of L-histidinol phosphate (CHEBI:16996)

IUPAC Name

(2S)-2-amino-3-(1H-imidazol-4-yl)propyl dihydrogen phosphate

Synonyms	Sources
L-Histidinol phosphate	KEGG COMPOUND
PHOSPHORIC ACID MONO-[2-AMINO-3-(3H-IMIDAZOL-4-YL)-PROPYL]ESTER	PDBeChem

Manual Xrefs	Databases
C00007480	KNApSAcK
C01100	KEGG COMPOUND
DB03997	DrugBank
HSA	PDBeChem
View more database links

Registry Numbers	Types	Sources
25679-93-0	CAS Registry Number	KEGG COMPOUND
792319	Beilstein Registry Number	Beilstein

Last Modified

25 January 2016

CHEBI:16996 - L-histidinol phosphate

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