EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:198489 - Salivaricin B

ChEBI IDCHEBI:198489
ChEBI NameSalivaricin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC120H182N34O36S4
Net Charge0
Average Mass2805.246
Monoisotopic Mass2803.23388
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CN)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O
InChIInChI=1S/C120H182N34O36S4/c1-12-59(7)94(151-114(184)93(58(5)6)150-91(165)49-131-90(164)48-130-89(163)45-121)115(185)137-71(31-34-87(123)161)102(172)153-97(62(10)159)118(188)152-95(60(8)13-2)116(186)145-81(51-156)110(180)142-78(43-66-47-127-56-132-66)106(176)135-72(32-35-92(166)167)100(170)147-83(53-191)111(181)133-69(29-22-37-128-120(125)126)98(168)136-73(36-38-194-11)101(171)143-79(44-88(124)162)107(177)144-80(50-155)109(179)141-77(42-65-46-129-68-28-21-20-27-67(65)68)105(175)134-70(30-33-86(122)160)99(169)139-75(40-63-23-16-14-17-24-63)104(174)138-74(39-57(3)4)103(173)140-76(41-64-25-18-15-19-26-64)108(178)154-96(61(9)158)117(187)149-85(55-193)113(183)148-84(54-192)112(182)146-82(52-157)119(189)190/h14-21,23-28,46-47,56-62,69-85,93-97,129,155-159,191-193H,12-13,22,29-45,48-55,121H2,1-11H3,(H2,122,160)(H2,123,161)(H2,124,162)(H,127,132)(H,130,163)(H,131,164)(H,133,181)(H,134,175)(H,135,176)(H,136,168)(H,137,185)(H,138,174)(H,139,169)(H,140,173)(H,141,179)(H,142,180)(H,143,171)(H,144,177)(H,145,186)(H,146,182)(H,147,170)(H,148,183)(H,149,187)(H,150,165)(H,151,184)(H,152,188)(H,153,172)(H,154,178)(H,166,167)(H,189,190)(H4,125,126,128)/t59-,60-,61+,62+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,93-,94-,95-,96-,97-/m0/s1
InChIKeyWYCRECCWGWCUHS-KABIMGDMSA-N
Species of MetaboliteComponentSourceComments
Streptococcus (ncbitaxon:1301) - PubMed (17194838)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Salivaricin B (CHEBI:198489) is a polypeptide (CHEBI:15841)
IUPAC Name 
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2R)-1-[[(2R)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-1-oxo-3-sulanylpropan-2-yl]amino]-1-oxo-3-sulanylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulanyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-sulanylpropan-2-yl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
17326669ChemSpider