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Substance Name: SboA protein, Bacillus subtilis
RN: 98914-01-3
InChIKey: NRQODXJXWWUXFE-LYQFAKRDSA-N

Note

  • 35-amino acid cyclic peptide with three cysteine bridges from Bacillus subtilis 168; peptide from Bacillus amyloliquefaciens is idential to that from B. subtilis; has bacteriocidal activity against some Gram-positive bacteria such as Listeria, some species of Bacillus and E.faecium; GenBank AJ430547.

Molecular Weight

  • 3015.4712
 
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Names and Synonyms

Name of Substance

  • SboA protein, Bacillus subtilis

Systematic Name

  • Subtilosin A

Registry Numbers

CAS Registry Number

  • 98914-01-3

System Generated Number

  • 0098914013

Structure Descriptors

InChI

1S/C129H208N36O41S3/c1-21-63(12)102(161-119(196)83(55-166)156-122(199)86(58-209)158-128(205)105(71(20)167)163-110(187)70(19)145-120(197)84(56-207)150-95(174)51-135-111(188)75(32-26-27-35-130)151-117(194)80(42-89(132)168)149-94(173)50-137-113(190)79(41-72-46-133-74-31-25-24-30-73(72)74)153-116(193)77(39-60(6)7)148-93(172)49-136-112(189)76(38-59(4)5)147-90(169)45-131)125(202)139-48-92(171)143-68(17)108(185)144-69(18)109(186)157-85(57-208)121(198)152-78(40-61(8)9)118(195)160-101(62(10)11)126(203)155-82(44-99(179)180)115(192)140-53-97(176)164-36-28-33-87(164)124(201)162-104(65(14)23-3)129(206)165-37-29-34-88(165)123(200)154-81(43-98(177)178)114(191)138-52-96(175)159-103(64(13)22-2)127(204)146-67(16)107(184)134-47-91(170)142-66(15)106(183)141-54-100(181)182/h24-25,30-31,46,59-71,75-88,101-105,133,166-167,207-209H,21-23,26-29,32-45,47-58,130-131H2,1-20H3,(H2,132,168)(H,134,184)(H,135,188)(H,136,189)(H,137,190)(H,138,191)(H,139,202)(H,140,192)(H,141,183)(H,142,170)(H,143,171)(H,144,185)(H,145,197)(H,146,204)(H,147,169)(H,148,172)(H,149,173)(H,150,174)(H,151,194)(H,152,198)(H,153,193)(H,154,200)(H,155,203)(H,156,199)(H,157,186)(H,158,205)(H,159,175)(H,160,195)(H,161,196)(H,162,201)(H,163,187)(H,177,178)(H,179,180)(H,181,182)/t63-,64-,65-,66-,67-,68-,69-,70-,71+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,101-,102-,103-,104-,105-/m0/s1

InChIKey

NRQODXJXWWUXFE-LYQFAKRDSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CN