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CHEBI:233846 - Guangxitoxin 1E

ChEBI IDCHEBI:233846
ChEBI NameGuangxitoxin 1E
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC178H248N44O45S7
Net Charge0
Average Mass3948.674
Monoisotopic Mass3945.65152
SMILESCSCCC(/N=C(\O)C1CCCN1C(=O)C(Cc1ccccc1)/N=C(\O)C(CC(=N)O)/N=C(\O)C1CSSCC2/N=C(/O)C(C)/N=C(/O)C3CCCN3C(=O)C(CCCCN)/N=C(/O)C/N=C(/O)C(CO)/N=C(/O)C/N=C(/O)C3CSSCC(/N=C(/O)C(C(C)C)/N=C(/O)C(Cc4ccc(O)cc4)/N=C(/O)C(CCCCN)/N=C(/O)C4CCCN4C(=O)C(CSSCC(/N=C(\O)C(CCC(=O)O)/N=C(\O)C/N=C(\O)C(N)CCC(=O)O)/C(O)=N\C/C(O)=N\C/C(O)=N\C(Cc4ccccc4)/C(O)=N\C(Cc4cnc5ccccc45)/C(O)=N\C(Cc4cnc5ccccc45)/C(O)=N\C(CCCCN)/C(O)=N\3)/N=C\2O)/C(O)=N\C(CO)C(=O)N2CCCC2/C(O)=N\C(CCCCN)/C(O)=N\C(Cc2cnc3ccccc23)/C(O)=N\C/C(O)=N\C(CC(C)C)/C(O)=N\1)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C178H248N44O45S7/c1-95(2)70-118-159(247)214-131(165(253)208-124(77-139(184)226)163(251)209-125(73-99-34-11-8-12-35-99)175(263)219-65-28-49-137(219)171(259)203-117(59-69-268-6)174(262)222-68-31-50-138(222)178(266)267)92-272-271-91-130-167(255)216-133-94-274-270-90-128(213-158(246)115(56-58-147(235)236)195-142(229)83-189-150(238)108(183)55-57-146(233)234)153(241)190-81-140(227)188-82-141(228)198-119(71-98-32-9-7-10-33-98)160(248)206-123(76-103-80-187-111-41-18-15-38-107(103)111)162(250)207-122(75-102-79-186-110-40-17-14-37-106(102)110)161(249)200-112(42-19-23-60-179)157(245)212-129(154(242)193-86-145(232)199-126(87-223)152(240)192-84-143(230)196-116(45-22-26-63-182)173(261)218-64-27-46-134(218)168(256)194-97(5)149(237)211-130)89-269-273-93-132(215-172(260)148(96(3)4)217-164(252)120(72-100-51-53-104(225)54-52-100)204-155(243)113(43-20-24-61-180)201-170(258)136-48-30-67-221(136)177(133)265)166(254)210-127(88-224)176(264)220-66-29-47-135(220)169(257)202-114(44-21-25-62-181)156(244)205-121(151(239)191-85-144(231)197-118)74-101-78-185-109-39-16-13-36-105(101)109/h7-18,32-41,51-54,78-80,95-97,108,112-138,148,185-187,223-225H,19-31,42-50,55-77,81-94,179-183H2,1-6H3,(H2,184,226)(H,188,227)(H,189,238)(H,190,241)(H,191,239)(H,192,240)(H,193,242)(H,194,256)(H,195,229)(H,196,230)(H,197,231)(H,198,228)(H,199,232)(H,200,249)(H,201,258)(H,202,257)(H,203,259)(H,204,243)(H,205,244)(H,206,248)(H,207,250)(H,208,253)(H,209,251)(H,210,254)(H,211,237)(H,212,245)(H,213,246)(H,214,247)(H,215,260)(H,216,255)(H,217,252)(H,233,234)(H,235,236)(H,266,267)
InChIKeySZVUKNYCMKWHNH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Chilobrachys guangxiensis (ncbitaxon:278060) - PubMed (27562026)
Roles Classification
Biological Role:
potassium channel blocker  An agent that inhibits cell membrane glycoproteins that are selectively permeable to potassium ions.
ChEBI Ontology
Outgoing Relation(s)
Guangxitoxin 1E (CHEBI:233846) has role potassium channel blocker (CHEBI:50509)
Guangxitoxin 1E (CHEBI:233846) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
1-[2-[[1-[2-[[4-amino-4-oxo-2-[[13,42,57,89-tetrakis(4-aminobutyl)-75-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]acetyl]amino]-4-carboxybutanoyl]amino]-66-benzyl-4,48-bis(hydroxymethyl)-92-[(4-hydroxyphenyl)methyl]-16,60,63-tris(1H-indol-3-ylmethyl)-33-methyl-22-(2-methylpropyl)-2,3a,5,11,14,17,20,23,32,35,41,44,47,50,53,56,59,62,65,68,71,74,81,87,90,93,96-heptacosaoxo-95-propan-2-yl-a,27,28,77,78,99-hexathia-2a,3,6,12,15,18,21,24,31,34,40,43,46,49,52,55,58,61,64,67,70,73,82,88,91,94,97-heptacosazahexacyclo[52.43.4.230,80.06,10.036,40.082,86]trihectane-25-carbonyl]amino]butanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylic acid
Citations