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CHEBI:190676 - HA Binder_mPEP35

ChEBI IDCHEBI:190676
ChEBI NameHA Binder_mPEP35
Stars
Definition310 helical peptide with hyaluronic acid binding domains
Last Modified29 August 2024
SubmitterKyle
DownloadsMolfile
FormulaC159H298N48O35S
Net Charge+10
Average Mass3474.501
Monoisotopic Mass3472.26801
SMILES[H][C@@]12CSC(CCCCC(=O)[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)NC(CCC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc3cncn3)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)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](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCC(C)=O)C(=O)N[C@@H](CC(N)=O)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/C159H288N48O35S/c1-24-93(22)128(206-142(226)103(52-34-42-70-167)181-138(222)107(59-61-118(168)210)187-131(215)97(46-28-36-64-161)183-143(227)109(73-83(2)3)179-121(213)56-26-25-55-117-129-116(81-243-117)199-159(242)207-129)155(239)192-101(50-32-40-68-165)136(220)196-113(77-95-79-175-82-178-95)147(231)202-126(91(18)19)153(237)203-123(88(12)13)150(234)190-99(48-30-38-66-163)134(218)193-110(74-84(4)5)144(228)184-102(51-33-41-69-166)141(225)200-125(90(16)17)152(236)205-127(92(20)21)154(238)204-124(89(14)15)151(235)191-100(49-31-39-67-164)135(219)194-111(75-85(6)7)145(229)185-105(54-44-72-177-158(173)174)137(221)198-115(80-208)148(232)188-108(60-62-119(169)211)139(223)195-112(76-86(8)9)146(230)201-122(87(10)11)149(233)189-98(47-29-37-65-162)132(216)182-104(53-43-71-176-157(171)172)133(217)180-96(45-27-35-63-160)130(214)186-106(58-57-94(23)209)140(224)197-114(156(240)241)78-120(170)212/h79,82-93,96-117,122-129,208H,24-78,80-81,160-167H2,1-23H3,(H2,168,210)(H2,169,211)(H2,170,212)(H,175,178)(H,179,213)(H,180,217)(H,181,222)(H,182,216)(H,183,227)(H,184,228)(H,185,229)(H,186,214)(H,187,215)(H,188,232)(H,189,233)(H,190,234)(H,191,235)(H,192,239)(H,193,218)(H,194,219)(H,195,223)(H,196,220)(H,197,224)(H,198,221)(H,200,225)(H,201,230)(H,202,231)(H,203,237)(H,204,238)(H,205,236)(H,206,226)(H,240,241)(H4,171,172,176)(H4,173,174,177)(H2,199,207,242)/p+10/t93-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107?,108-,109-,110-,111-,112-,113-,114-,115-,116+,117?,122-,123-,124-,125-,126-,127-,128-,129+/m0/s1
InChIKeyQMKNKHMYTQVEAI-QNPBOAAUSA-X
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
HA Binder_mPEP35 (CHEBI:190676) is a peptide (CHEBI:16670)