Chem
J-GLOBAL ID：200907060669613167   Nikkaji number：J147.591F

Phaseolotoxin

ファセオロトキシン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C15H34N9O8PS
Molecular formula furigana： C15-H34-N9-O8-P-S
Molecular weight： 531.530
InChI： InChI=1S/C15H34N9O8PS/c1-9(12(25)23-11(14(27)28)6-2-3-7-20-15(17)18)22-13(26)10(16)5-4-8-21-33(19,29)24-34(30,31)32/h9-11H,2-8,16H2,1H3,(H,22,26)(H,23,25)(H,27,28)(H4,17,18,20)(H,30,31,32)(H4,19,21,24,29)/t9-,10-,11-,33?/m0/s1
InChI key： QDAOSMKOZCCWLJ-MQLLGTBWSA-N
SMILES： C[C@H](NC(=O)[C@@H](N)CCCNP(=O)(N)NS(=O)(=O)O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)O
Systematic name  (4)：
  • N5-[アミノ(スルホアミノ)ホスフィニル]-L-Orn-L-Ala-N6-[アミノ(イミノ)メチル]-L-Lys-OH
  • N5-[アミノ(スルホアミノ)ホスフィニル]-Orn-Ala-6-グアニジノ-Nle-OH
  • (2S)-2-[(2S)-2-[(2S)-2-アミノ-5-{[アミノ(スルホアミノ)ホスホリル]アミノ}ペンタンアミド]プロパンアミド]-6-カルバムイミドアミドヘキサン酸
  • (2S)-2-[(2S)-2-[(2S)-2-amino-5-{[amino(sulfoamino)phosphoryl]amino}pentanamido]propanamido]-6-carbamimidamidohexanoic acid
Other name (4)：
  • ファセオロトキシン
  • Phaseolotoxin
  • N5-[Amino(sulfoamino)phosphinyl]-L-Orn-L-Ala-N6-[amino(imino)methyl]-L-Lys-OH
  • N5-[Amino(sulfoamino)phosphinyl]-Orn-Ala-6-guanidino-Nle-OH
CAS registry number： 62249-77-8
Regulation number (1)：
  • OL5610000
KEGG COMPOUND： C08440
Application (1)：
exotoxin
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