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Substance Name: Crabrolin
RN: 93207-22-8
InChIKey: QSXDPLQPNHGARA-KZQGOEDHSA-N

Note

  • Tridecapeptide from venom of hornet Vespa crabro; releases histamine from rat peritoneal mast cells.

Molecular Weight

  • 1495.95
 
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Names and Synonyms

Name of Substance

  • Crabrolin

Synonym

  • Phe-leu-pro-leu-ile-leu-arg-lys-ile-val-thr-ala-leunh2

Systematic Name

  • Mast cell degranulating peptide HR II (vespa orientalis), 7-L-arginine-9-L-isoleucine-11-L-threonine-12-L-alanine-13-de-L-leucine-

Registry Numbers

CAS Registry Number

  • 93207-22-8

System Generated Number

  • 0093207228

Structure Descriptors

InChI

1S/C74H130N18O14/c1-17-44(13)58(90-67(100)54(36-41(7)8)85-68(101)56-30-25-33-92(56)73(106)55(37-42(9)10)87-63(96)49(76)38-48-26-20-19-21-27-48)70(103)86-53(35-40(5)6)66(99)83-51(29-24-32-80-74(78)79)64(97)82-50(28-22-23-31-75)65(98)89-59(45(14)18-2)71(104)88-57(43(11)12)69(102)91-60(47(16)93)72(105)81-46(15)62(95)84-52(61(77)94)34-39(3)4/h19-21,26-27,39-47,49-60,93H,17-18,22-25,28-38,75-76H2,1-16H3,(H2,77,94)(H,81,105)(H,82,97)(H,83,99)(H,84,95)(H,85,101)(H,86,103)(H,87,96)(H,88,104)(H,89,98)(H,90,100)(H,91,102)(H4,78,79,80)/t44-,45-,46-,47+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1

InChIKey

QSXDPLQPNHGARA-KZQGOEDHSA-N

Smiles

N([C@H](C(=O)N)CC(C)C)C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]([C@@H](C)CC)NC([C@@H](NC([C@H]1N(C([C@@H](NC([C@@H](N)Cc2ccccc2)=O)CC(C)C)=O)CCC1)=O)CC(C)C)=O)=O)CC(C)C)=O)CCCNC(N)=N)=O)CCCCN)=O)[C@@H](C)CC)=O)C(C)C)=O)[C@H](O)C)=O)C)=O