N(2)-succinyl-L-ornithine (CHEBI:27574)

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CHEBI:27574 - N²-succinyl-L-ornithine

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ChEBI Name	N²-succinyl-L-ornithine

ChEBI ID	CHEBI:27574

ChEBI ASCII Name	N(2)-succinyl-L-ornithine

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

Secondary ChEBI IDs	CHEBI:45896, CHEBI:7375, CHEBI:21822

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

more structures >>

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32 31 0 0 0 0 999 V2000

0.1650 0.2207 0.2674 N 0 0 0 0 0 0 0 0 0 0 0 0

-0.4044 -0.9626 -0.3817 C 0 0 1 0 0 0 0 0 0 0 0 0

0.6935 -2.0063 -0.5935 C 0 0 0 0 0 0 0 0 0 0 0 0

1.7300 -1.4628 -1.5795 C 0 0 0 0 0 0 0 0 0 0 0 0

2.8288 -2.5062 -1.7917 C 0 0 0 0 0 0 0 0 0 0 0 0

3.8233 -1.9839 -2.7383 N 0 0 0 0 0 0 0 0 0 0 0 0

-1.4869 -1.5429 0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.1527 -2.6390 0.0970 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.4275 1.5252 -0.5623 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.7551 -1.0217 1.5488 O 0 0 0 0 0 0 0 0 0 0 0 0

0.1601 2.6408 0.7811 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.6934 3.8655 0.4476 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.1078 5.0833 1.1153 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.6952 6.2806 0.9622 O 0 0 0 0 0 0 0 0 0 0 0 0

0.8906 4.9813 1.7883 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.4256 1.4229 0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0

4.5242 -2.7017 -2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0

3.3574 -1.8971 -3.6294 H 0 0 0 0 0 0 0 0 0 0 0 0

2.3901 -3.4199 -2.1928 H 0 0 0 0 0 0 0 0 0 0 0 0

3.3126 -2.7234 -0.8393 H 0 0 0 0 0 0 0 0 0 0 0 0

2.1687 -0.5490 -1.1785 H 0 0 0 0 0 0 0 0 0 0 0 0

1.2462 -1.2455 -2.5319 H 0 0 0 0 0 0 0 0 0 0 0 0

0.2547 -2.9191 -0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0

1.1782 -2.2232 0.3585 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.8291 -0.6796 -1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0

0.9660 0.1399 0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0

0.1756 2.4908 1.8609 H 0 0 0 0 0 0 0 0 0 0 0 0

1.1768 2.7985 0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.7085 4.0153 -0.6312 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.7102 3.7077 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.3197 7.0611 1.3906 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.8473 -3.0115 0.6575 H 0 0 0 0 0 0 0 0 0 0 0 0

1 2 1 0 0 0 0

1 16 1 0 0 0 0

1 26 1 0 0 0 0

2 3 1 0 0 0 0

2 7 1 0 0 0 0

2 25 1 0 0 0 0

3 4 1 0 0 0 0

3 23 1 0 0 0 0

3 24 1 0 0 0 0

4 5 1 0 0 0 0

4 21 1 0 0 0 0

4 22 1 0 0 0 0

5 6 1 0 0 0 0

5 19 1 0 0 0 0

5 20 1 0 0 0 0

6 17 1 0 0 0 0

6 18 1 0 0 0 0

7 8 1 0 0 0 0

7 10 2 0 0 0 0

8 32 1 0 0 0 0

9 16 2 0 0 0 0

11 12 1 0 0 0 0

11 16 1 0 0 0 0

11 27 1 0 0 0 0

11 28 1 0 0 0 0

12 13 1 0 0 0 0

12 29 1 0 0 0 0

12 30 1 0 0 0 0

13 14 1 0 0 0 0

13 15 2 0 0 0 0

14 31 1 0 0 0 0

M END): 25 ms

reading 32 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

32 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

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Molfile expand

Formula

C9H16N2O5

Net Charge

Average Mass

232.23382

Monoisotopic Mass

232.10592

InChI

InChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1

InChIKey

VWXQFHJBQHTHMK-LURJTMIESA-N

SMILES

NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O

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	N²-succinyl-L-ornithine (CHEBI:27574) has role Escherichia coli metabolite (CHEBI:76971) N²-succinyl-L-ornithine (CHEBI:27574) is a N2-acyl-L-ornithine (CHEBI:21815) N²-succinyl-L-ornithine (CHEBI:27574) is conjugate acid of N²-succinyl-L-ornithinate(1−) (CHEBI:58514)

Incoming	N²-succinyl-L-ornithinate(1−) (CHEBI:58514) is conjugate base of N²-succinyl-L-ornithine (CHEBI:27574)

IUPAC Name

N²-(3-carboxypropanoyl)-L-ornithine

Synonyms	Sources
(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid	KEGG COMPOUND
N2-Succinyl-L-ornithine	KEGG COMPOUND

Manual Xrefs	Databases
C03415	KEGG COMPOUND
SUO	PDBeChem
View more database links

Last Modified

25 January 2016

CHEBI:27574 - N2-succinyl-L-ornithine

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CHEBI:27574 - N²-succinyl-L-ornithine