Q27103094

[object Object]
NameSelenocystathionine
WikidataQ27103094
Mol. formulaC7H14N2O4Se
CAS registry number-
Mol. weight269.1567

Representations

Temporary LOTUS idLTS0158340
NameSelenocystathionine
Canonical SMILESNC(CC[Se]CC(N)C(=O)O)C(=O)O
2D SMILESNC(CC[Se]CC(N)C(=O)O)C(=O)O
IUPAC name2-amino-4-[(2-amino-2-carboxyethyl)selanyl]butanoic acid
InChIInChI=1S/C7H14N2O4Se/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
InChIKeyZNWYDQPOUQRDLY-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworknot applicable

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Fabaceae  Neptunia  Neptunia amplexicaulis Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Fabaceae  Astragalus  Astragalus pectinatus Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Amino acids and PeptidesSmall peptidesAminoacids

Molecular Properties

Total atom number28
Heavy atom number14
Bond count13
Number of carbons7
Minimal number of rings0
Maximal number of rings0

Molecular Descriptors

NP-likeness score 1.86
Alogp-1.99
Alogp23.98
Apol 30.8331
Bpol 19.9209
EccentricConnectivityIndexDescriptor 186
FmfDescriptor 0
Fsp3 0.7143
FragmentComplexityDescriptor 547.07
PetitjeanNumber 0.4444
LipinskiRuleOf5Failures 0
WienerPathNumber379
Xlogp -3.464
ZagrebIndex 58
TopoPSA 126.64