input word = C00057197

Metabolite InformationStructural formula
Name Pleurocidin
Formula C129H192N36O29
Mw 2709.46559444
CAS RN 190324-47-1
C_ID C00057197
InChIKey MZJIKFCSPTZIFT-UVKRQXBBSA-N
InChICode InChI=1S/C129H192N36O29/c1-69(2)48-92(122(186)165-108(77(13)167)128(192)161-97(54-82-59-135-66-142-82)121(185)158-95(52-80-40-42-85(168)43-41-80)120(184)162-100(129(193)194)49-70(3)4)155-111(175)75(11)145-109(173)73(9)147-114(178)88(36-22-26-44-130)149-103(170)63-140-127(191)107(72(7)8)164-124(188)99(56-84-61-137-68-144-84)160-116(180)89(37-23-27-45-131)150-104(171)64-141-126(190)106(71(5)6)163-123(187)98(55-83-60-136-67-143-83)156-112(176)76(12)146-110(174)74(10)148-115(179)90(38-24-28-46-132)153-117(181)91(39-25-29-47-133)154-118(182)93(50-78-30-16-14-17-31-78)157-119(183)94(51-79-32-18-15-19-33-79)159-125(189)101(65-166)152-105(172)62-139-113(177)96(151-102(169)57-134)53-81-58-138-87-35-21-20-34-86(81)87/h14-21,30-35,40-43,58-61,66-77,88-101,106-108,138,166-168H,22-29,36-39,44-57,62-65,130-134H2,1-13H3,(H,135,142)(H,136,143)(H,137,144)(H,139,177)(H,140,191)(H,141,190)(H,145,173)(H,146,174)(H,147,178)(H,148,179)(H,149,170)(H,150,171)(H,151,169)(H,152,172)(H,153,181)(H,154,182)(H,155,175)(H,156,176)(H,157,183)(H,158,185)(H,159,189)(H,160,180)(H,161,192)(H,162,184)(H,163,187)(H,164,188)(H,165,186)(H,193,194)/t73-,74-,75-,76-,77+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,106-,107-,108-/m0/s1
SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(C)C)C(C)C)[C@@H](C)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pleuronectes americanus Ref.
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OrganismPleuronectes americanus
ReferenceCole, A.M. et al., J. Biol. Chem., 1997, 272, 12008-12013 (isol)