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CHEBI:190681 - HA Binder_2nd de novo

Default Structure
ChEBI IDCHEBI:190681
ChEBI NameHA Binder_2nd de novo
Stars
Definition310 helical peptide with hyaluronic acid binding domains
SubmitterKyle
DownloadsMolfile
FormulaC152H287N44O37S
Net Charge+9
Average Mass3355.306
Monoisotopic Mass3353.16001
SMILES[H][C@@]12CSC(CCCCC(=O)[NH2+][C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(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](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CO)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](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](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](CC(C)C)C(=C)[O-])C(C)C)C(C)C)C(C)O)[C@@H](C)CC)C(C)C)C(C)C)C(C)O)[C@]1([H])NC(=O)N2
InChIInChI=1S/C152H278N44O37S/c1-25-85(18)120(148(230)178-95(48-31-39-63-156)129(211)172-99(52-35-43-67-160)136(218)194-121(90(23)200)149(231)180-96(49-32-40-64-157)130(212)175-101(56-58-112(161)202)132(214)171-94(47-30-38-62-155)128(210)176-102(57-59-113(162)203)137(219)191-118(83(14)15)146(228)185-105(71-79(6)7)139(221)174-98(51-34-42-66-159)134(216)190-117(82(12)13)145(227)181-103(89(22)199)69-77(2)3)193-147(229)119(84(16)17)192-135(217)100(53-44-68-166-151(164)165)177-144(226)116(81(10)11)189-133(215)97(50-33-41-65-158)173-138(220)104(70-78(4)5)183-143(225)109(75-198)187-131(213)93(46-29-37-61-154)170-126(208)88(21)168-124(206)87(20)169-127(209)92(45-28-36-60-153)179-150(232)122(91(24)201)195-141(223)106(72-80(8)9)182-140(222)107(73-114(163)204)184-142(224)108(74-197)186-125(207)86(19)167-115(205)55-27-26-54-111-123-110(76-234-111)188-152(233)196-123/h77-88,90-111,116-123,197-201H,22,25-76,153-160H2,1-21,23-24H3,(H2,161,202)(H2,162,203)(H2,163,204)(H,167,205)(H,168,206)(H,169,209)(H,170,208)(H,171,214)(H,172,211)(H,173,220)(H,174,221)(H,175,212)(H,176,210)(H,177,226)(H,178,230)(H,179,232)(H,180,231)(H,181,227)(H,182,222)(H,183,225)(H,184,224)(H,185,228)(H,186,207)(H,187,213)(H,189,215)(H,190,216)(H,191,219)(H,192,217)(H,193,229)(H,194,218)(H,195,223)(H4,164,165,166)(H2,188,196,233)/p+9/t85-,86-,87-,88-,90?,91?,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110+,111?,116-,117-,118-,119-,120-,121-,122-,123+/m0/s1
InChIKeyKFNYIBMNXIMJOB-XYVXYKPOSA-W
ChEBI Ontology
Outgoing Relation(s)
HA Binder_2nd de novo (CHEBI:190681) is a organic molecular entity (CHEBI:50860)