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Substance Name: Crambin protein, Crambe abyssinica
RN: 78783-34-3
InChIKey: PKTAYNJCGHSPDR-JNYFXXDFSA-N

Note

  • 44 amino acid, molecular weight 5000, water-insoluble protein found in the seed of the plant Crambe abyssinica.

Molecular Formula

  • C200-H313-N55-O65-S6

Molecular Weight

  • 4730.4275
 
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Names and Synonyms

Name of Substance

  • Crambin protein, Crambe abyssinica

Systematic Name

  • Crambin

Registry Numbers

CAS Registry Number

  • 78783-34-3

System Generated Number

  • 0078783343

Structure Descriptors

InChI

1S/C202H315N55O64S6/c1-28-92(12)149-188(308)237-127-84-323-324-85-128(176(296)225-114(46-37-63-212-202(209)210)165(285)232-122(69-89(6)7)195(315)253-64-38-47-132(253)179(299)215-80-143(274)241-158(107(27)265)199(319)257-68-42-51-136(257)182(302)226-115(60-61-144(275)276)164(284)218-100(20)162(282)244-149)236-187(307)148(91(10)11)242-172(292)120(74-138(204)269)229-168(288)117(70-108-43-34-33-35-44-108)228-169(289)119(73-137(203)268)230-173(293)124(81-258)234-166(286)113(45-36-62-211-201(207)208)224-159(279)99(19)221-186(306)147(90(8)9)243-189(309)150(93(13)29-2)245-174(294)125(82-259)235-183(303)135-50-41-66-255(135)196(316)130-87-326-322-83-126(223-142(273)79-216-185(305)154(103(23)261)251-171(291)118(72-110-54-58-112(267)59-55-110)231-192(312)155(104(24)262)250-163(283)101(21)220-175(127)295)178(298)246-151(94(14)30-3)190(310)247-152(95(15)31-4)191(311)248-153(96(16)32-5)198(318)256-67-40-49-134(256)181(301)213-77-140(271)217-97(17)161(281)249-156(105(25)263)194(314)240-131(88-327-325-86-129(177(297)239-130)238-193(313)157(106(26)264)252-184(304)146(206)102(22)260)197(317)254-65-39-48-133(254)180(300)214-78-141(272)222-121(76-145(277)278)170(290)227-116(71-109-52-56-111(266)57-53-109)167(287)219-98(18)160(280)233-123(200(320)321)75-139(205)270/h33-35,43-44,52-59,89-107,113-136,146-158,258-267H,28-32,36-42,45-51,60-88,206H2,1-27H3,(H2,203,268)(H2,204,269)(H2,205,270)(H,213,301)(H,214,300)(H,215,299)(H,216,305)(H,217,271)(H,218,284)(H,219,287)(H,220,295)(H,221,306)(H,222,272)(H,223,273)(H,224,279)(H,225,296)(H,226,302)(H,227,290)(H,228,289)(H,229,288)(H,230,293)(H,231,312)(H,232,285)(H,233,280)(H,234,286)(H,235,303)(H,236,307)(H,237,308)(H,238,313)(H,239,297)(H,240,314)(H,241,274)(H,242,292)(H,243,309)(H,244,282)(H,245,294)(H,246,298)(H,247,310)(H,248,311)(H,249,281)(H,250,283)(H,251,291)(H,252,304)(H,275,276)(H,277,278)(H,320,321)(H4,207,208,211)(H4,209,210,212)/t92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102+,103+,104+,105+,106+,107+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-/m0/s1

InChIKey

PKTAYNJCGHSPDR-JNYFXXDFSA-N

Smiles

CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]4CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@H]6CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]7CCCN7C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC6=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)N8CCC[C@H]8C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc9ccc(O)cc9)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)N%10CCC[C@H]%10C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc%11ccccc%11)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N4)[C@@H](C)O