input word = C00055470

Metabolite InformationStructural formula
Name Bovicin HJ50
Formula C147H242N42O44S4
Mw 3427.68729233
CAS RN 757977-34-7
C_ID C00055470
InChIKey IHBCRBUZGIFGQD-HYUGNNCFSA-N
InChICode InChI=1S/C147H242N42O44S4/c1-23-67(10)107(181-127(213)88(51-80-56-157-82-39-29-28-38-81(80)82)163-102(196)57-159-119(205)83(43-36-48-156-147(154)155)164-124(210)91(54-104(198)199)168-116(202)72(15)151)136(222)166-86(42-32-35-47-150)122(208)187-115-79(22)235-62-98-145(231)189-49-37-44-99(189)134(220)171-90(53-101(153)195)128(214)180-106(66(8)9)135(221)183-109(69(12)25-3)137(223)174-93(59-190)129(215)173-94(60-191)130(216)182-108(68(11)24-2)138(224)177-96-63-236-237-64-97(175-118(204)74(17)161-141(227)113(77(20)193)186-140(226)111(71(14)27-5)184-139(225)110(70(13)26-4)185-142(228)112(76(19)192)179-103(197)58-158-117(203)73(16)160-132(96)218)133(219)165-84(40-30-33-45-148)120(206)169-89(52-100(152)194)123(209)176-95(131(217)162-75(18)146(232)233)61-234-78(21)114(188-126(212)87(50-65(6)7)172-144(115)230)143(229)167-85(41-31-34-46-149)121(207)170-92(55-105(200)201)125(211)178-98/h28-29,38-39,56,65-79,83-99,106-115,157,190-193H,23-27,30-37,40-55,57-64,148-151H2,1-22H3,(H2,152,194)(H2,153,195)(H,158,203)(H,159,205)(H,160,218)(H,161,227)(H,162,217)(H,163,196)(H,164,210)(H,165,219)(H,166,222)(H,167,229)(H,168,202)(H,169,206)(H,170,207)(H,171,220)(H,172,230)(H,173,215)(H,174,223)(H,175,204)(H,176,209)(H,177,224)(H,178,211)(H,179,197)(H,180,214)(H,181,213)(H,182,216)(H,183,221)(H,184,225)(H,185,228)(H,186,226)(H,187,208)(H,188,212)(H,198,199)(H,200,201)(H,232,233)(H4,154,155,156)/t67-,68+,69+,70+,71+,72-,73+,74+,75+,76-,77-,78+,79+,83-,84+,85?,86-,87+,88-,89+,90+,91-,92?,93+,94+,95+,96+,97+,98+,99+,106+,107-,108+,109+,110+,111+,112+,113+,114-,115-/m1/s1
SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](C)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)N[C@@H](CS[C@H]1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)CS[C@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptococcaceaeStreptococcus bovis HJ50 Ref.
zoom in



OrganismStreptococcus bovis HJ50
ReferenceWhitford, W.F. et al., Appl. Environ. Microbiol., 2001, 67, 569-574 (Bovicin 255, isol)