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CHEBI:190677 - HA Binder_1-scrm

Default Structure
ChEBI IDCHEBI:190677
ChEBI NameHA Binder_1-scrm
Stars
Definition310 helical peptide without hyaluronic acid binding domain - negative control
SubmitterKyle
DownloadsMolfile
FormulaC161H303N49O32S
Net Charge+10
Average Mass3469.573
Monoisotopic Mass3467.32546
SMILES[H][C@@]12CSC(CCCCC(=O)[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc3cncn3)C(=O)[O-])C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)[C@@H](C)CC)[C@]1([H])NC(=O)N2
InChIInChI=1S/C161H293N49O32S/c1-26-95(22)130(157(239)193-106(53-35-43-71-168)137(219)186-104(51-33-41-69-166)136(218)188-107(54-36-44-72-169)143(225)203-124(89(10)11)151(233)194-112(63-64-122(173)212)144(226)204-125(90(12)13)153(235)201-119(82-211)150(232)205-127(92(16)17)154(236)207-129(94(20)21)156(238)208-128(93(18)19)155(237)206-126(91(14)15)152(234)192-109(56-46-74-180-160(176)177)138(220)189-108(55-45-73-179-159(174)175)140(222)200-118(158(240)241)80-99-81-178-84-181-99)209-149(231)116(78-88(8)9)198-148(230)117(79-98(25)172)199-147(229)115(77-87(6)7)197-142(224)111(62-60-97(24)171)191-146(228)114(76-86(4)5)196-141(223)110(61-59-96(23)170)190-145(227)113(75-85(2)3)195-139(221)105(52-34-42-70-167)187-135(217)103(50-32-40-68-165)185-134(216)102(49-31-39-67-164)184-133(215)101(48-30-38-66-163)183-132(214)100(47-29-37-65-162)182-123(213)58-28-27-57-121-131-120(83-243-121)202-161(242)210-131/h81,84-95,100-121,124-131,211H,23-80,82-83,162-172H2,1-22H3,(H2,173,212)(H,178,181)(H,182,213)(H,183,214)(H,184,215)(H,185,216)(H,186,219)(H,187,217)(H,188,218)(H,189,220)(H,190,227)(H,191,228)(H,192,234)(H,193,239)(H,194,233)(H,195,221)(H,196,223)(H,197,224)(H,198,230)(H,199,229)(H,200,222)(H,201,235)(H,203,225)(H,204,226)(H,205,232)(H,206,237)(H,207,236)(H,208,238)(H,209,231)(H,240,241)(H4,174,175,179)(H4,176,177,180)(H2,202,210,242)/p+10/t95-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121?,124-,125-,126-,127-,128-,129-,130-,131+/m0/s1
InChIKeyPXANKKHCHZWGKY-HLVUSGLCSA-X
ChEBI Ontology
Outgoing Relation(s)
HA Binder_1-scrm (CHEBI:190677) is a organic molecular entity (CHEBI:50860)