Molecule

COB1

AlkaPlorer ID: AK079653

Synonym: None

IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]propanoic acid

Structure

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

InChI: InChI=1S/C35H64N8O9/c1-16(2)13-23(30(46)37-15-25(44)38-22(12)35(51)52)40-34(50)28(20(9)10)43-31(47)24(14-17(3)4)41-33(49)27(19(7)8)42-29(45)21(11)39-32(48)26(36)18(5)6/h16-24,26-28H,13-15,36H2,1-12H3,(H,37,46)(H,38,44)(H,39,48)(H,40,50)(H,41,49)(H,42,45)(H,43,47)(H,51,52)/t21-,22-,23-,24-,26-,27-,28-/m0/s1

InChIKey: CJVFIJXEPCVCTK-LWMBYGOMSA-N

Reference

Isolation and Structure of the<i>Enterococcus faecalis</i>Sex Pheromone, cOBl, That Induces Conjugal Transfer of the Hemolysin/Bacteriocin Plasmids, pOBl and pYI1

PubChem CID: 53317256

LOTUS: LTS0144132

SuperNatural Ⅲ: SN0047675-01

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NPAtlas: NPA008509

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Enterococcus faecalis	Enterococcus	Enterococcaceae	Lactobacillales	Bacilli	Bacillota	None	Bacteria

Properties Information

Molecule Weight: 740.9440000000001

TPSA？: 291.44999999999993

MolLogP？: 5.405400000000009

Number of H-Donors: 9

Number of H-Acceptors: 9

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Enterococcus faecalis	Enterococcus faecalis	Activity	None	None	10.1128/aac.00754-08