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Substance Name: Group 5 allergens, Ambrosia
RN: 136882-65-0
InChIKey: LXSTYQMJTPDIKD-ZUJFLFOUSA-N

Note

  • From giant ragweed (Ambrosia trifida) pollen.

Molecular Formula

  • C179-H280-N48-O60-S8

Molecular Weight

  • 4320.98
 
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Names and Synonyms

Name of Substance

  • Group 5 allergens, Ambrosia

Synonym

  • AmbtV

Systematic Name

  • Allergen Amb t V (Ambrosia trifida reduced)

Registry Numbers

CAS Registry Number

  • 136882-65-0

System Generated Number

  • 0136882650

Structure Descriptors

InChI

1S/C179H280N48O60S8/c1-14-86(9)139(190)171(277)220-122(79-292)164(270)210-111(63-127(187)236)159(265)201-105(31-20-25-55-184)153(259)209-112(64-128(188)237)160(266)218-125(82-295)169(275)226-144(90(13)231)179(285)287-177(283)88(11)196-150(256)104(30-19-24-54-183)202-163(269)117(73-228)213-162(268)115(67-137(248)249)211-156(262)108(59-92-35-43-96(233)44-36-92)208-165(271)123(80-293)221-174(280)141(85(7)8)224-168(274)124(81-294)217-158(264)110(61-94-39-47-98(235)48-40-94)207-152(258)102(28-17-22-52-181)198-132(241)71-195-173(279)142(87(10)15-2)225-170(276)126-32-26-56-227(126)176(282)118(74-229)214-166(272)120(77-290)219-167(273)121(78-291)216-157(263)109(60-93-37-45-97(234)46-38-93)206-151(257)101(27-16-21-51-180)197-131(240)70-194-172(278)140(84(5)6)223-154(260)103(29-18-23-53-182)199-130(239)68-193-149(255)119(76-289)215-161(267)113(65-129(189)238)212-175(281)143(89(12)230)222-134(243)72-191-147(253)106(203-155(261)107(204-146(252)100(186)75-288)58-91-33-41-95(232)42-34-91)49-50-138(250)286-178(284)116(57-83(3)4)200-133(242)69-192-148(254)114(66-136(246)247)205-145(251)99(185)62-135(244)245/h33-48,83-90,99-126,139-144,228-235,288-295H,14-32,49-82,180-186,190H2,1-13H3,(H2,187,236)(H2,188,237)(H2,189,238)(H,191,253)(H,192,254)(H,193,255)(H,194,278)(H,195,279)(H,196,256)(H,197,240)(H,198,241)(H,199,239)(H,200,242)(H,201,265)(H,202,269)(H,203,261)(H,204,252)(H,205,251)(H,206,257)(H,207,258)(H,208,271)(H,209,259)(H,210,270)(H,211,262)(H,212,281)(H,213,268)(H,214,272)(H,215,267)(H,216,263)(H,217,264)(H,218,266)(H,219,273)(H,220,277)(H,221,280)(H,222,243)(H,223,260)(H,224,274)(H,225,276)(H,226,275)(H,244,245)(H,246,247)(H,248,249)/t86-,87-,88-,89+,90+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,139-,140-,141-,142-,143-,144-/m0/s1

InChIKey

LXSTYQMJTPDIKD-ZUJFLFOUSA-N

Smiles

C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)[C@H](CC)C)=O)CS)=O)CC(=O)N)=O)CCCCN)=O)CC(=O)N)=O)CS)=O)[C@@H](C)O)(=O)OC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](N)CS)=O)Cc1ccc(O)cc1)=O)CCC(=O)OC([C@@H](NC(CNC([C@@H](NC([C@@H](N)CC(=O)O)=O)CC(=O)O)=O)=O)CC(C)C)=O)=O)=O)[C@@H](C)O)=O)CC(=O)N)=O)CS)=O)=O)CCCCN)=O)C(C)C)=O)=O)CCCCN)=O)Cc1ccc(O)cc1)=O)CS)=O)CS)=O)CO)=O)=O)[C@H](CC)C)=O)=O)CCCCN)=O)Cc1ccc(O)cc1)=O)CS)=O)C(C)C)=O)CS)=O)Cc1ccc(O)cc1)=O)CC(=O)O)=O)CO)=O)CCCCN)=O)C)=O