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Substance Name: Histatin 5
RN: 115966-68-2
UNII: 4281SUF5M7
InChIKey: KSXBMTJGDUPBBN-VPKNIDFUSA-N

Note

  • found in human parotid saliva; inhibits proteolytic enzymes, such as gingipains, implicated in periodontal disease

Molecular Formula

  • C133-H195-N51-O33

Molecular Weight

  • 3036.3275
 
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Names and Synonyms

Name of Substance

  • Histatin 5

Synonyms

  • DSHAKRHHGYKRKFHEKHHSHRGY
  • Peptide F-A (human parotid saliva)
  • Salivary histatin 5
  • UNII-4281SUF5M7

Systematic Name

  • Histatin 5

Registry Numbers

CAS Registry Number

  • 115966-68-2

FDA UNII

  • 4281SUF5M7

Other Registry Numbers

  • 104339-66-4
  • 646451-08-3

System Generated Number

  • 0115966682

Structure Descriptors

InChI

1S/C133H195N51O33/c1-71(164-120(206)96(46-76-54-146-65-158-76)181-128(214)103(62-185)183-110(196)84(138)52-108(193)194)109(195)167-86(18-5-9-35-134)113(199)172-91(24-15-41-154-133(143)144)118(204)178-99(49-79-57-149-68-161-79)125(211)176-95(45-75-53-145-64-157-75)112(198)156-60-105(189)165-93(43-73-25-29-82(187)30-26-73)121(207)173-87(19-6-10-36-135)114(200)171-90(23-14-40-153-132(141)142)115(201)169-88(20-7-11-37-136)116(202)175-94(42-72-16-3-2-4-17-72)122(208)179-97(47-77-55-147-66-159-77)124(210)174-92(33-34-107(191)192)119(205)170-89(21-8-12-38-137)117(203)177-100(50-80-58-150-69-162-80)126(212)180-101(51-81-59-151-70-163-81)127(213)184-104(63-186)129(215)182-98(48-78-56-148-67-160-78)123(209)168-85(22-13-39-152-131(139)140)111(197)155-61-106(190)166-102(130(216)217)44-74-27-31-83(188)32-28-74/h2-4,16-17,25-32,53-59,64-71,84-104,185-188H,5-15,18-24,33-52,60-63,134-138H2,1H3,(H,145,157)(H,146,158)(H,147,159)(H,148,160)(H,149,161)(H,150,162)(H,151,163)(H,155,197)(H,156,198)(H,164,206)(H,165,189)(H,166,190)(H,167,195)(H,168,209)(H,169,201)(H,170,205)(H,171,200)(H,172,199)(H,173,207)(H,174,210)(H,175,202)(H,176,211)(H,177,203)(H,178,204)(H,179,208)(H,180,212)(H,181,214)(H,182,215)(H,183,196)(H,184,213)(H,191,192)(H,193,194)(H,216,217)(H4,139,140,152)(H4,141,142,153)(H4,143,144,154)/t71-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-/m0/s1

InChIKey

KSXBMTJGDUPBBN-VPKNIDFUSA-N

Smiles

[H]/N=C(/N)\NCCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc5cnc[nH]5)C(=O)N[C@@H](CCCN/C(=N/[H])/N)C(=O)NCC(=O)N[C@@H](Cc6ccc(cc6)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc7ccc(cc7)O)NC(=O)CNC(=O)[C@H](Cc8cnc[nH]8)NC(=O)[C@H](Cc9cnc[nH]9)NC(=O)[C@H](CCCN/C(=N/[H])/N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)N