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CHEBI:64624 - microcin B17

ChEBI IDCHEBI:64624
ChEBI Namemicrocin B17
Stars
DefinitionA 43-membered microcin composed of Val, Gly, Ile, Gly, Gly, Gly, Gly, Gly, Gly, Gly, Gly, Gly, Gly, Ser, Cys, Gly, Gly, Gln, Gly, Gly, Gly, Cys, Gly, Gly, Cys, Ser, Asn, Gly, Cys, Ser, Gly, Gly, Asn, Gly, Gly, Ser, Gly, Gly, Ser, Gly, Ser, His and Ile residues joined in sequence.
Last Modified16 May 2012
SubmitterSteve
DownloadsMolfile
FormulaC118H188N48O53S4
Net Charge0
Average Mass3255.353
Monoisotopic Mass3253.23742
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1cncn1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)[C@@H](C)CC)C(=O)O
InChIInChI=1S/C118H188N48O53S4/c1-7-53(5)100(165-98(201)40-148-116(216)99(122)52(3)4)117(217)149-30-88(191)132-21-79(182)129-19-77(180)127-17-75(178)125-15-73(176)124-16-74(177)126-18-76(179)128-20-78(181)130-22-80(183)133-35-93(196)155-64(45-171)112(212)164-67(48-221)109(209)145-29-87(190)135-31-89(192)151-56(9-10-70(119)173)102(202)140-24-82(185)131-23-81(184)134-36-94(197)157-66(47-220)108(208)144-28-86(189)139-37-95(198)158-69(50-223)115(215)163-65(46-172)113(213)161-59(13-72(121)175)104(204)146-39-97(200)159-68(49-222)114(214)162-62(43-169)107(207)143-27-85(188)136-32-90(193)152-58(12-71(120)174)103(203)141-25-83(186)137-33-91(194)153-60(41-167)105(205)142-26-84(187)138-34-92(195)154-61(42-168)106(206)147-38-96(199)156-63(44-170)111(211)160-57(11-55-14-123-51-150-55)110(210)166-101(118(218)219)54(6)8-2/h14,51-54,56-69,99-101,167-172,220-223H,7-13,15-50,122H2,1-6H3,(H2,119,173)(H2,120,174)(H2,121,175)(H,123,150)(H,124,176)(H,125,178)(H,126,177)(H,127,180)(H,128,179)(H,129,182)(H,130,181)(H,131,185)(H,132,191)(H,133,183)(H,134,184)(H,135,190)(H,136,188)(H,137,186)(H,138,187)(H,139,189)(H,140,202)(H,141,203)(H,142,205)(H,143,207)(H,144,208)(H,145,209)(H,146,204)(H,147,206)(H,148,216)(H,149,217)(H,151,192)(H,152,193)(H,153,194)(H,154,195)(H,155,196)(H,156,199)(H,157,197)(H,158,198)(H,159,200)(H,160,211)(H,161,213)(H,162,214)(H,163,215)(H,164,212)(H,165,201)(H,166,210)(H,218,219)/t53-,54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,99-,100-,101-/m0/s1
InChIKeyDPWKTZRJGMZNFS-IGRUFWJISA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
DNA synthesis inhibitor  Any substance that inhibits the synthesis of DNA.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
microcin B17 (CHEBI:64624) has functional parent mature microcin B18 zwitterion (CHEBI:146781)
microcin B17 (CHEBI:64624) has role DNA synthesis inhibitor (CHEBI:59517)
microcin B17 (CHEBI:64624) is a microcin (CHEBI:64627)
IUPAC Name 
L-valylglycyl-L-isoleucylglycylglycylglycylglycylglycylglycylglycylglycylglycylglycyl-L-seryl-L-cysteinylglycylglycyl-L-glutaminylglycylglycylglycyl-L-cysteinylglycylglycyl-L-cysteinyl-L-seryl-L-asparaginylglycyl-L-cysteinyl-L-serylglycylglycyl-L-asparaginylglycylglycyl-L-serylglycylglycyl-L-serylglycyl-L-seryl-L-histidyl-L-isoleucine
Synonyms  Source
VGIGGGGGGGGGGSCGGQGGGCGGCSNGCSGGNGGSGGSGSHIChEBI
Val-Gly-Ile-Gly-Gly-Gly-Gly-Gly-Gly-Gly-Gly-Gly-Gly-Ser-Cys-Gly-Gly-Gln-Gly-Gly-Gly-Cys-Gly-Gly-Cys-Ser-Asn-Gly-Cys-Ser-Gly-Gly-Asn-Gly-Gly-Ser-Gly-Gly-Ser-Gly-Ser-His-IleChEBI
Registry NumbersSources
Reaxys:21321681Reaxys
Citations