Molecule

8-amino-7-oxononanoic acid

AlkaPlorer ID: AK019646

Synonym: '', '8-Amino-7-oxopelargonic acid', '8-Amino-7-oxononanoic acid'

IUPAC Name: (8S)-8-amino-7-oxononanoic acid

SMILES: C[C@H](N)C(=O)CCCCCC(=O)O

InChI: InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1

InChIKey: GUAHPAJOXVYFON-ZETCQYMHSA-N

PubChem CID: 36688192

CAS: 177408-65-0

SuperNatural Ⅲ: SN0115338-01

NPASS: NPC71969

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Callyspongia pseudoreticulata	Callyspongia	Callyspongiidae	Haplosclerida	Demospongiae	Porifera	Metazoa	Eukaryota
Sanguisorba tenuifolia	Sanguisorba	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Uvaria hamiltonii	Uvaria	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lobophora papenfussii	Lobophora	Dictyotaceae	Dictyotales	Phaeophyceae	None	None	Eukaryota

Molecule Weight: 187.239

TPSA？: 80.39

MolLogP？: 0.9377999999999996

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT000072	*C(=O)CCCCCC(=O)O.C[C@H](N)C(=O)O>>C[C@H](N)C(=O)CCCCCC(=O)O	RXN-11484
AKRT000631	N[C@@H](CCCCN)C()=O.C[C@H](N)C(=O)CCCCCC(=O)O>>N[C@@H](CCCCN[C@H](CCCCCC(=O)O)[C@H](C)N)C()=O	RXN-21307
AKRT013376	C[C@H](N)C(=O)CCCCCC(=O)O.C[S@@+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C[C@H](N)[C@H](N)CCCCCC(=O)O	DAPASYN-RXN
AKRT013377	C[C@H](N)C(=O)CCCCCC(=O)O.C[S@@+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C[S@@+](CCC(=O)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	DAPASYN-RXN
AKRT013378	C[C@H](N)C(=O)CCCCCC(=O)O.O=C=O>>C[C@H](N)[C@@H](CCCCCC(=O)O)NC(=O)O	RXN-21306
AKRT013379	C[C@H](N)C(=O)CCCCCC(=O)O>>CC(N)C(N)CCCCCC(=O)O	enzymemap_42628
AKRT013380	C[C@H](N)C(=O)CCCCCC(=O)O>>C[C@H](N)[C@H](N)CCCCCC(=O)O	RXN-14930
AKRT013620	C[C@H](N)C(=O)O.O=C(O)CCCCCC(=O)[CoA]>>C[C@H](N)C(=O)CCCCCC(=O)O	7KAPSYN-RXN