Chem
J-GLOBAL ID：200907090424597910   Nikkaji number：J398.761B

Mast cell degranulating peptide

肥満細胞脱か粒ペプチド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C110H192N40O24S4
Molecular formula furigana： C110-H192-N40-O24-S4
Molecular weight： 2587.240
InChI： InChI=1S/C110H192N40O24S4/c1-11-58(7)83(118)103(169)136-66(30-17-22-38-113)94(160)142-77-53-177-178-54-78-100(166)135-68(33-25-41-126-109(120)121)92(158)132-67(31-18-23-39-114)95(161)147-85(59(8)12-2)106(172)144-75(89(155)128-50-82(153)131-64(28-15-20-36-111)90(156)138-71(88(119)154)46-80(116)151)51-175-176-52-76(143-96(162)74(47-81(117)152)140-101(77)167)99(165)134-65(29-16-21-37-112)91(157)133-69(34-26-42-127-110(122)123)93(159)139-72(44-62-48-124-55-129-62)97(163)146-84(57(5)6)104(170)149-87(61(10)14-4)105(171)137-70(32-19-24-40-115)108(174)150-43-27-35-79(150)102(168)141-73(45-63-49-125-56-130-63)98(164)148-86(60(9)13-3)107(173)145-78/h48-49,55-61,64-79,83-87H,11-47,50-54,111-115,118H2,1-10H3,(H2,116,151)(H2,117,152)(H2,119,154)(H,124,129)(H,125,130)(H,128,155)(H,131,153)(H,132,158)(H,133,157)(H,134,165)(H,135,166)(H,136,169)(H,137,171)(H,138,156)(H,139,159)(H,140,167)(H,141,168)(H,142,160)(H,143,162)(H,144,172)(H,145,173)(H,146,163)(H,147,161)(H,148,164)(H,149,170)(H4,120,121,126)(H4,122,123,127)
InChI key： COXZPDHTJACGLG-UHFFFAOYSA-N
SMILES： CCC(C)C(N)C(=O)NC(CCCCN)C(=O)NC1CSSCC2NC(=O)C(NC(=O)C(Cc3c[nH]cn3)NC(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C(NC(=O)C(NC(=O)C(Cc3c[nH]cn3)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CSSCC(NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC2=O)C(C)CC)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)N)NC(=O)C(CC(=O)N)NC1=O)C(C)C)C(C)CC)C(C)CC
Systematic name  (3)：
  • L-Ile-L-Lys-L-Cys(1)-L-Asn-L-Cys(2)-L-Lys-L-Arg-L-His-L-Val-L-Ile-L-Lys-L-Pro-L-His-L-Ile-L-Cys(1)-L-Arg-L-Lys-L-Ile-L-Cys(2)-Gly-L-Lys-L-Asn-NH2
  • 2-{6-アミノ-2-[2-({55-[6-アミノ-2-(2-アミノ-3-メチルペンタンアミド)ヘキサンアミド]-16,31,45-トリス(4-アミノブチル)-4,19,42-トリス(ブタン-2-イル)-28,48-ビス(3-カルバムイミドアミドプロピル)-58-(カルバモイルメチル)-7,25-ビス[(1H-イミダゾール-4-イル)メチル]-3,6,9,15,18,21,24,27,30,33,41,44,47,50,56,59-ヘキサデカオキソ-22-(プロパン-2-イル)-36,37,52,53-テトラチア-2,5,8,14,17,20,23,26,29,32,40,43,46,49,57,60-ヘキサデカアザトリシクロ[32.16.10.010,14]ヘキサコンタン-39-イル}ホルムアミド)アセトアミド]ヘキサンアミド}ブタンジアミド
  • 2-{6-amino-2-[2-({55-[6-amino-2-(2-amino-3-methylpentanamido)hexanamido]-16,31,45-tris(4-aminobutyl)-4,19,42-tris(butan-2-yl)-28,48-bis(3-carbamimidamidopropyl)-58-(carbamoylmethyl)-7,25-bis[(1H-imidazol-4-yl)methyl]-3,6,9,15,18,21,24,27,30,33,41,44,47,50,56,59-hexadecaoxo-22-(propan-2-yl)-36,37,52,53-tetrathia-2,5,8,14,17,20,23,26,29,32,40,43,46,49,57,60-hexadecaazatricyclo[32.16.10.010,14]hexacontan-39-yl}formamido)acetamido]hexanamido}butanediamide
Other name (7)：
  • 肥満細胞脱か粒ペプチド
  • ペプチド401
  • Mast cell degranulating peptide
  • MCD
  • Peptide 401
Show all
CAS registry number： 32908-73-9
Application (1)：
insect venom
Thsaurus map：
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